AG00I5IB

Name: 5-[[(6R)-7,8-dihydroxy-2-thiophen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
Brand: Angene Chemical
SKU: AG00I5IB

29767-20-2 | 5-[[(6R)-7,8-dihydroxy-2-thiophen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one

Chemical structure of 5-[[(6R)-7,8-dihydroxy-2-thiophen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one, CAS 29767-20-2

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CAS Number	29767-20-2
Catalog Number	AG00I5IB(AGN-PC-015IA1)
Chemical Name	5-[[(6R)-7,8-dihydroxy-2-thiophen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
EC Number	249-831-2
IUPAC Name	(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-thiophen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
InChI	InChI=1S/C32H32O13S/c1-37-19-6-13(7-20(38-2)25(19)33)23-14-8-17-18(42-12-41-17)9-15(14)28(16-10-39-30(36)24(16)23)44-32-27(35)26(34)29-21(43-32)11-40-31(45-29)22-4-3-5-46-22/h3-9,16,21,23-24,26-29,31-35H,10-12H2,1-2H3/t16-,21+,23+,24-,26+,27+,28+,29+,31+,32-/m0/s1
InChI Key	NRUKOCRGYNPUPR-QBPJDGROSA-N
MDL Number	MFCD00866516
Molecular Formula	C32H32O13S
Molecular Weight	656.6537
SMILES	O=C1[C@@H]2[C@@H](c3c([C@H]([C@H]2CO1)O[C@@H]1O[C@H]2[C@H]([C@@H]([C@H]1O)O)O[C@@H](OC2)c1cccs1)cc1c(c3)OCO1)c1cc(OC)c(c(c1)OC)O
UNII	957E6438QA
Synonyms	Demethyl Epipodophyllotoxin Thenylidine Glucoside, NSC 122819, NSC-122819, NSC122819, Teniposide, Teniposide, (5a alpha,9 alpha(S))-Isomer, VM 26, VM-26, VM26, Vumon, teniposide, Vumon, 29767-20-2, Vehem, VM-26, Teniposido, Teniposidum, NSC 122819, Vee M-26, Teniposide (Vumon), CCRIS 2058, UNII-957E6438QA, HSDB 6546, C32H32O13S, Teniposidum [INN-Latin], Teniposido [INN-Spanish], EINECS 249-831-2, VM 26, 4'-Dimethyl-9-(4,6-O-2-thenyid)-epipodophyllotoxin, 4'-Demethylepipodophyllotoxin 9-(4,6-O-(R)-2-thenylidene-beta-D-glucopyranoside), 4'-Demethylepipodophyllotoxin-beta-D-thenylidine glucoside, 4'-Demethyl-epipodophyllotoxin-beta-D-thenylidene-glucoside, 4'-Demethylepipodophyllotoxin 9-(4,6-O-2-thenylidene-beta-D-glucopyranoside), Epipodophyllotoxin, 4'-demethyl-, 9-(4,6-O-2-thenylidene-beta-D-glucopyranoside), NSC-122819, 957E6438QA, Epipodophyllotoxin-beta-D-thenylidene-glucoside, 4'-demethyl-, 4'-Demethyl 1-O-(4,6-O,O-(2-thenylidene)-beta-D-glucopyranosyl)epipodophyllotoxin, (5R-(5alpha,5abeta,8aalpha,9beta(R)))-5,8,8a,9-Tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-((4-6-O-(2-thienylmethylene)-beta-D-glucopyranosyl)oxy)furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, NSC122819, (5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-thiophen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one, Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-((4,6-O-((R)-2-thienylmethylene)-beta-D-glucopyranosyl)oxy)-, (5R,5aR,8aR,9S)-, Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-((4,6-O-(2-thienylmethylene)-beta-D-glucopyranosyl)-oxy)-, (5R-(5alpha,5abeta,8aalpha,9beta(R)))-, Teniposide [USAN:BAN:INN], Teniposid, Epidophyllotoxin, Teniposide [USAN:INN:BAN], VM26, MFCD00866516, Teniposide(Vumon), Demethyl Epipodophyllotoxin Thenylidine Glucoside, AC1L9QDK, SCHEMBL3908, CHEMBL452231, GTPL6843, AOB5608, ZINC4099009, s1787, AKOS015896073, Vumon;VM-26;Vehem;NSC 122819, CS-1366, DB00444, KS-5147, Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-((4,6-O-(2-thienylmethylene)-beta-D-glucopyranosyl)oxy)-, (5R-(5alpha,5abeta,8aalpha,9beta(R)))-, HY-13761, LS-63999, tho[2,3-d][1,3]dioxol-6(5aH)-one, AB0011611, AB2000293, FT-0080118, W-5144, AB01274729-01, AB01274729_02, 767T202, I06-2040, Epipodophyllotoxin, 4'-demethyl-, 9-(4,6-O-2-thenylidene-beta-D-glucopyranoside) (8CI), (5R,5aR,8aR,9S)-9-(((2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-(thiophen-2-yl)hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy)-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naph, (5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-(2-thienyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one, 5-[[(6R)-7,8-dihydroxy-2-thiophen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one, Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-[[4,6-O-[(R)-2-thienylmethylene]-.beta.-D-glucopyranosyl]oxy]-, (5R,5aR,8aR,9S)-, Tenoposide, Veham-Sandoz, Vumon (TN), ISOSULFAN BLUE, Teniposide (USAN/INN), D01DBQ, Teniposide, 98% - 1G 1g, VM-26 (TN), CID452548, C32-H32-O13-S, Teniposide, (5a alpha,9 alpha(S))-Isomer, 4'-Demethylepipodophyllotoxin thenylidene glucoside, D013713, Vumon, VM-26, Vehem, NSC 122819, Teniposide, 4-Demethylepipodophyllotoxin-.beta.-D-thenylideneglucoside, EPT, Epipodophyllotoxin, 4'-demethyl-, 9-(4,6-O-2-thenylidene-.beta.-D-glucopyranoside), (5R,5aR,8aR,9S)-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-[[4,6-O-[(R)-2-thienylmethylene]--D-glucopyranosyl]oxy]-furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, (5s,5ar,8ar,9r)-9-(4-Hydroxy-3,5-Dimethoxyphenyl)-8-Oxo-5,5a,6,8,8a,9-Hexahydrofuro[3',4':6,7]naphtho[2,3-D][1,3]dioxol-5-Yl 4,6-O-(Thiophen-2-Ylmethylidene)-Beta-D-Glucopyranoside, ETP, Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-((4,6-O-(2-thienylmethylene)-beta-D-glucopyranosyl)oxy)-, (5R-(5alpha,5abeta,8aalpha,9beta(, Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-[[4,6-O-(2-thienylmethylene)-.beta.-D-glucopyranosyl]oxy]-, [5R-[5.alpha.,5a.beta.,8a.alpha.,9.beta.(R)]]-, Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-[[4,6-O-[(R)-2-thienylmethylene]-b-D-glucopyranosyl]oxy]-, (5R,5aR,8aR,9S)-, PTG,

Complexity	1090
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	10
Defined Bond Stereocenter Count	0
Exact Mass	656.156g/mol
Formal Charge	0
Heavy Atom Count	46
Hydrogen Bond Acceptor Count	14
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	656.655g/mol
Monoisotopic Mass	656.156g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	189A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H350-H360
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Related Research Chemicals

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited