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AG003PIJ

Name: Digitoxigenin
Brand: Angene Chemical
SKU: AG003PIJ

143-62-4 | Digitoxigenin

Chemical structure of Digitoxigenin, CAS 143-62-4

AG003PIJ

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CAS Number	143-62-4
Catalog Number	AG003PIJ(AGN-PC-0PUBWC)
Chemical Name	Digitoxigenin
EC Number	205-603-4
IUPAC Name	3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
InChI	InChI=1S/C23H34O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15-19,24,26H,3-10,12-13H2,1-2H3/t15-,16+,17-,18+,19-,21+,22-,23+/m1/s1
InChI Key	XZTUSOXSLKTKJQ-CESUGQOBSA-N
MDL Number	MFCD00003687
Molecular Formula	C23H34O4
Molecular Weight	374.5137
NSC Number	407806
SMILES	O=C1OCC([C@H]2CC[C@@]3([C@@]4(CC[C@@]5(C[C@H](CC[C@@]5([C@]4(CC[C@]23C)[H])C)O)[H])[H])O)=C1
UNII	S63WOD4VOL
Synonyms	Digitoxigenin, Uzarigenin, Digitoxigenin, 143-62-4, Thevetigenin, Echujetin, Digitoxigenine, Cerberigenin, Evonogenin, UNII-S63WOD4VOL, Uzarigenin, MLS002153810, S63WOD4VOL, NSC 407806, 3b,14-Dihydroxy-5b-card-20(22)-enolide, CHEBI:42219, XZTUSOXSLKTKJQ-CESUGQOBSA-N, 3beta,14-Dihydroxy-5beta-card-20(22)-enolide, MFCD00003687, SMR001233182, 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one, 4-(3,14-DIHYDROXY-10,13-DIMETHYL-HEXADECAHYDRO-CYCLOPENTA[A]PHENANTHREN-17-YL)-5H-FURAN-2-ONE, 3-beta,14beta-dihydroxy-5-beta-card-20(22)-enolide, 3.beta.,14-Dihydroxy-5.beta.-card-20(22)-enolide, EINECS 205-603-4, BRN 0095448, DTX, 3-beta,14-Dioxy-digen-(20:22)-olid [German], 3-beta,14-Dihydroxy-5-beta-card-20(22)-enolide, 3-beta,14-Dioxy-carden-(20:22)-olid [German], Cardogenen-(20:22)-diol-(3-beta,14) [German], MLS002701726, delta20:22-3,14,21-Trihydroxynorcholenic acid lactone, 3-beta,14-Dihydroxy-5-beta,14-beta-card-20(22)-enolide, Card-20(22)-enolide, 3,14-dihydroxy-, (3-beta,5-beta)-, delta-sup(20:22)-3,14,21-Trihydroxynorcholenic acid lactone, delta-sup(20:22)-3,14,21-Trihydroxynorcholenicacid lactone, NSC407806, 1lnm, Prestwick_169, 3-beta,14-Dioxy-carden-(20:22)-olid, 3-beta,14-Dioxy-digen-(20:22)-olid, Cardogenen-(20:22)-diol-(3-beta,14), AC1N9ZUQ, Prestwick0_000436, Prestwick1_000436, Prestwick2_000436, Prestwick3_000436, 5-beta-CARD-20(22)-ENOLIDE, 3-beta,14-DIHYDROXY-, CHEMBL1453, SCHEMBL61224, BSPBio_000452, 5-18-03-00348 (Beilstein Handbook Reference), SPBio_002391, BPBio1_000498, BDBM66977, cid_4369270, DTXSID80162276, HMS1569G14, HMS2096G14, HMS2231J22, HMS3713G14, KS-000016KV, ZINC3875959, 7051AA, LMST01120001, AKOS015915862, ACN-030380, API0002356, CCG-220436, DB04177, NSC-407806, NCGC00179555-01, 5beta,20(22)-Cardenolide-3beta,14-diol, ST2406798, 3-.beta.,14-Dioxy-digen-(20:22)-olid, D0541, Cardogenen-(20:22)-diol-(3-.beta.,14), 3beta,14-Dihydroxy-5beta,20(22)-cardenolide, 5.beta.-Card-20(22)-enolide,14-dihydroxy-, 3-BETA, 14-BETA-CARD-20(22)-ENOLIDE, SR-01000841188, SR-01000841188-2, 3,14,21-Trihydroxy-20(22)-norcholenic acid lactone, BRD-K18518344-001-03-5, I14-53594, .delta.20:22-3,21-Trihydroxynorcholenic acid lactone, 5.beta.-Card-20(22)-enolide, 3.beta.,14-dihydroxy, 5.beta.-Card-20(22)-enolide, 3.beta.,14-dihydroxy-, WLN: L E5 B666TJ A1 E1 F- DT5OV CUTJ IQ OQ, (3alpha,5beta,8alpha)-3,14-dihydroxycard-20(22)-enolide, .delta.20:22-3,14,21-Trihydroxynorcholenic acid lactone, 5beta-Card-20(22)-enolide, 3beta,14-dihydroxy- (8CI), .delta.-sup(20:22)-3,21-Trihydroxynorcholenic acid lactone, 3,14,21-EyoC>>u-20(22)-E yen(1/4)xmicro I(c)EaAUo yen, 3,14-Dihydroxycard-20(22)-enolide, (3.beta.,5.beta.)- #, Card-20(22)-enolide,14-dihydroxy-, (3.beta.,5.beta.)-, .DELTA.-sup(20:22)-3,14,21-Trihydroxynorcholenicacid lactone, Card-20(22)-enolide, 3,14-dihydroxy-, (3.beta.,5.beta.)-, Card-20(22)-enolide, 3,14-dihydroxy-, (3beta,5beta)- (9CI), 3\|A,14- paragraph signthornoC>>u-5\|A,20(22)- inverted question mark I(c)AUo yen, 5\|A,20(22)- inverted question mark I(c)AUo yen-3\|A,14- paragraph signthorn (1/4), 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,14-bis(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one, 4-((3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one, Digoxigenin, Digitoxigenin(PST2238), D08ZNS, C23H34O4, C23-H34-O4, CID4369270, D004073, (3-beta,5-beta)-3,14-Dihydroxycard-20(22)-enolide, Card-20(22)-enolide, 3,14-dihydroxy-, (3beta,5beta)-, delta-20:22-3,14,21-trihydroxynorcholenic acid lactone,

Complexity	686
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	8
Defined Bond Stereocenter Count	0
Exact Mass	374.246g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	374.521g/mol
Monoisotopic Mass	374.246g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H300
Packing Group	Ⅱ
Precautionary statements	P264-P301+P310
UN Code	UN 3462

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CERTIFICATE OF ANALYSIS

Chemical Name:	Batch Number:
Chemical Structure:	CAS Registry No:
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Analysis Data:

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Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited