(Q27155112)

CHEBI:81157 (English)

3-[(3S,5R,8S,9S,10R,13R,14S,17R)-14-hydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-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

9 October 2016

stereoisomer of

2 references

inferred from InChIKey

3-O-alpha-L-Rhamnopyranosylcannogenol

2 references

inferred from InChIKey

3-[(3S,5S,8R,9S,10R,13R,14S,17R)-14-hydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-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

1 reference

3-[(3S,5R,8R,9S,10R,13R,14S,17R)-14-hydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-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

1 reference

3-[(3S,5S,8R,9S,10R,13R,14S,17R)-14-hydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methyloxan-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

1 reference

chemical formula

C₂₉H₄₄O₉

1 reference

CHEBI:81157 (English)

9 October 2016

canonical SMILES

CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)CO)O)O)O

1 reference

CHEBI:81157 (English)

9 October 2016

isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3([C@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)CO)O)O)O

1 reference

CHEBI:81157 (English)

InChI=1S/C29H44O9/c1-15-23(32)24(33)25(34)26(37-15)38-18-5-9-28(14-30)17(12-18)3-4-21-20(28)6-8-27(2)19(7-10-29(21,27)35)16-11-22(31)36-13-16/h11,15,17-21,23-26,30,32-35H,3-10,12-14H2,1-2H3/t15-,17-,18-,19+,20-,21+,23-,24+,25+,26-,27+,28+,29-/m0/s1

9 October 2016

Identifiers

InChI

1 reference

CHEBI:81157 (English)

WPVGSIBYLZQSIK-GXMITZSZSA-N

9 October 2016

InChIKey

2 references

CHEBI:81157 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(3beta,5alpha)-3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-14,19-dihydroxycard-20(22)-enolide (English)

9 October 2016

2 references

CHEBI:81157 (English)

matched by identifier from

9 October 2016

InChIKey

WPVGSIBYLZQSIK-GXMITZSZSA-N

ChEBI ID

81157

mapping relation type

2 references

Coroglaucigenin-3-o-alpha-L-rhamnopyranoside (English)

matched by identifier from

9 October 2016

International Chemical Identifier

InChI

InChI=1S/C29H44O9/c1-15-23(32)24(33)25(34)26(37-15)38-18-5-9-28(14-30)17(12-18)3-4-21-20(28)6-8-27(2)19(7-10-29(21,27)35)16-11-22(31)36-13-16/h11,15,17-21,23-26,30,32-35H,3-10,12-14H2,1-2H3/t15-,17-,18-,19+,20-,21+,23-,24+,25+,26-,27+,28+,29-/m0/s1

1 reference

1 reference

Coroglaucigenin-3-o-alpha-L-rhamnopyranoside (English)