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| CAS Number | 518-28-5 |
| Catalog Number | AG003ACJ(AGN-PC-0SBDL5) |
| Chemical Name | Podophyllotoxin |
| EC Number | 208-250-4 |
| IUPAC Name | (5R,5aR,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one |
| InChI | InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/m0/s1 |
| InChI Key | YJGVMLPVUAXIQN-XVVDYKMHSA-N |
| MDL Number | MFCD00075290 |
| Molecular Formula | C22H22O8 |
| Molecular Weight | 414.4053 |
| SMILES | O=C1OC[C@]2([H])[C@@H](O)C3=C(C=C4OCOC4=C3)[C@@H](C5=CC(OC)=C(OC)C(OC)=C5)[C@]21[H] |
| UNII | L36H50F353 |
| Synonyms | Condyline,
Condylox,
CPH86,
Epipodophyllotoxin,
Podocon-25,
Podofilm,
Podofilox,
Podophyllotoxin,
Podophyllotoxin, (5R-(5 alpha,5a alpha,8a alpha,9 alpha))-Isomer,
Podophyllotoxin, (5R-(5 alpha,5a alpha,8a alpha,9 beta))-Isomer,
Podophyllotoxin, (5R-(5 alpha,5a alpha,8a beta,9 alpha))-Isomer,
Podophyllotoxin, (5R-(5 alpha,5a beta,8a alpha,9 beta))-Isomer,
Wartec,
Warticon,
podophyllotoxin,
Podofilox,
518-28-5,
Condylox,
Condyline,
Wartec,
Podophyllinic acid lactone,
Podophyllotoxin 7,
(-)-Podophyllotoxin,
Warticon,
Podophyllum,
Podofilox [USAN],
CCRIS 565,
UNII-L36H50F353,
HSDB 7238,
Podophyllotoxin, 95%,
NSC24818,
CHEMBL61,
EINECS 208-250-4,
NSC 24818,
(5R,5aR,8aR,9R)-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one,
AI3-50456,
MLS000069495,
CHEBI:50305,
Podofilox (USAN),
MFCD00075290,
L36H50F353,
4354-76-1,
Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-, (5R-(5alpha,5abeta,8aalpha,9alpha))-,
NCGC00022001-05,
Podofilm,
SMR000059121,
C22H22O8,
EN300-52746,
DSSTox_CID_25645,
DSSTox_RID_81023,
DSSTox_GSID_45645,
(10R,11R,15R,16R)-16-hydroxy-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0^{3,7}.0^{11,15}]hexadeca-1(9),2,7-trien-12-one,
(5R,5aR,8aR,9R)-5,8,8a,9-Tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one,
(5R,5aR,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one,
Podocon-25,
Podophilox,
(5R,9R,5aR,8aR)-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,9,5a,8a-pentahydro-2H -isobenzofurano[5',6'-2,1]benzo[4,5-d]1,3-dioxolan-6-one,
1,3,3a,4,9,9a-Hexahydro-9-hydroxy-6,7-(methylenedioxy)-4-(3',4',5'-trimethoxyphenyl)benz(f)isobenzofuran-3-one,
SR-05000001749,
MLS002702981,
CPH86,
Podofillina,
Podophylotoxin,
Mayapple isolate,
NSC-24818,
Condylox (TN),
(5R,5aR,8aR,9R)-5,8,8a,9-Tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one,
9-Hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5ah)-one,
CAS-518-28-5,
Podophyllum (resin),
Podophyllotoxin,(S),
Prestwick_1018,
Podofillina [Italian],
Podophyllotoxin (BAN),
PubChem20017,
Spectrum_000199,
AC1L1VKA,
Opera_ID_1397,
Prestwick0_000782,
Prestwick1_000782,
Prestwick2_000782,
Prestwick3_000782,
Spectrum2_000878,
Spectrum4_000592,
Spectrum5_001368,
UPCMLD-DP035,
AC1Q47JV,
SCHEMBL42243,
BSPBio_000884,
BSPBio_002352,
KBioGR_001084,
KBioSS_000679,
MLS001148204,
MLS002172467,
MLS006010754,
MLS006011412,
BIDD:GT0123,
DivK1c_000292,
UNII-16902YVY2B,
SPBio_000955,
SPBio_002823,
BPBio1_000974,
CCRIS 4391,
DTXSID3045645,
UPCMLD-DP035:001,
UPCMLD-DP035:002,
BCBcMAP01_000165,
CTK6J6283,
HMS500O14,
KBio1_000292,
KBio2_000679,
KBio2_003247,
KBio2_005815,
NINDS_000292,
YJGVMLPVUAXIQN-XVVDYKMHSA-N,
16902YVY2B,
HMS1570M06,
HMS2093P16,
HMS2097M06,
HMS2235A23,
HMS3259J19,
HMS3714M06,
Pharmakon1600-02300332,
ALBB-020906,
BB_NC-01063,
BCP24085,
Podophyllotoxin, analytical standard,
ZINC3861806,
EINECS 232-546-2,
Tox21_110874,
Tox21_202922,
B18-5C,
BBL033695,
BDBM50035218,
CCG-39894,
CP0089,
NSC759591,
STK801918,
AKOS000265559,
Tox21_110874_1,
AC-1656,
CS-1185,
DB01179,
KS-1281,
MCULE-9617461427,
NC00675,
ND-1185,
NSC-759591,
RL03911,
SDCCGMLS-0066888.P001,
IDI1_000292,
SMP1_000243,
NCGC00022001-03,
NCGC00022001-07,
NCGC00022001-08,
NCGC00022001-09,
NCGC00022001-10,
NCGC00022001-11,
NCGC00022001-13,
NCGC00022001-14,
NCGC00260468-01,
AJ-46241,
AN-14707,
BC202956,
CC-33854,
CPD000059121,
HY-15552,
LS-70859,
NCI60_001981,
RD4-6269,
SAM002548978,
SC-47262,
SC-77494,
ST066914,
AB0012227,
FT-0603436,
ST24048942,
C10874,
D05529,
P-6980,
W-5067,
70339-EP2305243A1,
70339-EP2308833A2,
518P285,
A828801,
C-21968,
SR-01000003030,
SR-01000003030-3,
SR-05000001749-1,
SR-05000001749-2,
BRD-K47869605-001-05-6,
BRD-K47869605-001-18-9,
Z1258578359,
(10R,11R,15R,16R)-16-hydroxy-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0;{3,7}.0;{11,15}]hexadeca-1(9),2,7-trien-12-one,
(10R,11R,15R,16R)-16-hydroxy-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0?,?.0??,??]hexadeca-1(9),2,7-trien-12-one,
(5R,5aR,8aR,9R)-5,8,8a,9-Tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-furo(3',4':6,7)naphtho[2,3-d]-1,3-dioxol-6(5aH)-one,
(5R,5aR,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one,
(5R,5aR,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one,
(5R,5aR,8aR,9R)-5-oxidanyl-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one,
(5R,5aR,8aR,9R)-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-5,5a,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(8H)-one,
5,8,8a,9-Tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, [5R-(5.alpha.,5a.beta.,8a.alpha.,9.alpha.)],
furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-, (5R,5aR,8aR,9R)-,
Furo[3',7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-, [5R-(5.alpha.,5a.beta.,8a.alpha.,9.alpha.)]-,
Naphtho[2,3-dioxole-6-carboxylic acid, 5,6,7,8-tetrahydro-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl-, .gamma.-lactone,
Epipodophyllotoxin,
Podophyllum resin,
PODOPHYLLIN,
podophyllinicacidlactone,
D0D4HN,
D0SK5B,
GP 7,
CID10607,
ACN-035836,
C22-H22-O8,
CS-O-30735,
Podophyllotoxin, 98% - 100MG 100mg,
D011034,
PPT,
Podophyllotoxin, (5R-(5 alpha,5a alpha,8a alpha,9 alpha))-Isomer,
Podophyllotoxin, (5R-(5 alpha,5a alpha,8a alpha,9 beta))-Isomer,
Podophyllotoxin, (5R-(5 alpha,5a alpha,8a beta,9 alpha))-Isomer,
Podophyllotoxin, (5R-(5 alpha,5a beta,8a alpha,9 beta))-Isomer,
9000-55-9,
-5,8,8a,9-Tetrahydro-9-hydroxy-5- -furo naphtho[2,3-d]-1,3-dioxol-6 -one,
1,3,3a,4,9,9a-hexahydro-9-hydroxy-6,7-(methylenedioxy)-4-(3',4',5'-trimethoxyphenyl)benz[f]isobenzofuran-3-one,
477-47-4,
Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-,
Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-, [5R-(5.alpha.,5a.beta.,8a.alpha.,9.alpha.)]-,
|
| Complexity | 629 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 414.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 414.41g/mol |
| Monoisotopic Mass | 414.131g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 92.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
| Symbol: | |
| Hazard Class | 6.1 |
| Hazard statements | H301-H310-H315-H319-H335 |
| Packing Group | Ⅱ |
| Precautionary statements | P261-P262-P264-P280-P301+P310+P330-P302+P352+P310 |
| UN Code | UN 2811 |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
| Storage Temperature: | ||
| Formula: | ||
| Molecular Weight: | ||
| Quantity: |
| Test: | Result: |

