(Q27263835)

UNII-656SOD88C2 (English)

4-[(1R,3aS,3bR,5aS,7S,9aS,9bS,11aR)-3a-hydroxy-9a,11a-dimethyl-7-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-tetradecahydrocyclopenta[a]phenanthren-1-yl]-5H-furan-2-one

14 October 2016

stereoisomer of

2 references

inferred from InChIKey

3-[(3S,5S,8R,9S,10S,13R,14S,17S)-14-hydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

inferred from InChI

2 references

inferred from InChIKey

3-[(3S,5R,8S,9R,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

inferred from InChI

2 references

inferred from InChIKey

inferred from InChI

chemical formula

C₂₉H₄₄O₉

1 reference

UNII-656SOD88C2 (English)

14 October 2016

canonical SMILES

CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)OC6C(C(C(C(O6)CO)O)O)O

1 reference

UNII-656SOD88C2 (English)

14 October 2016

isomeric SMILES

C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O

1 reference

A cardiac glucoside with in vitro anti-HIV activity isolated from Elaeodendron croceum

UNII-656SOD88C2 (English)

14 October 2016

1 reference

Speirantha convallarioides

1 reference

stated in

The cardenolides of Speirantha convallarioides

Speirantha gardenii

1 reference

stated in

The cardenolides of Speirantha convallarioides

Identifiers

InChI

InChI=1S/C29H44O9/c1-27-8-5-17(37-26-25(34)24(33)23(32)21(13-30)38-26)12-16(27)3-4-20-19(27)6-9-28(2)18(7-10-29(20,28)35)15-11-22(31)36-14-15/h11,16-21,23-26,30,32-35H,3-10,12-14H2,1-2H3/t16-,17+,18-,19+,20-,21-,23-,24+,25-,26-,27+,28-,29+/m1/s1

1 reference

UNII-656SOD88C2 (English)

14 October 2016

1 reference

Global Substance Registration System

UNII-656SOD88C2 (English)

14 October 2016

2 references

UNII

656SOD88C2

glucodigitoxigenin (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=17059-16-4

8 April 2021

1 reference

(3beta,5beta)-3-(beta-D-Glucopyranosyloxy)-14-hydroxycard-20(22)-enolide (English)

14 October 2016

2 references

UNII-656SOD88C2 (English)

matched by identifier from

14 October 2016

DSSTOX compound identifier

1 reference

0 references

0 references

2 references

Global Substance Registration System

UNII

656SOD88C2

glucodigitoxigenin (English)

matched by identifier from

14 October 2016