(Q105310215)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3-[(6-Deoxyhexopyranosyl)oxy]-14,19-dihydroxycard-20(22)-enolide

1 reference

based on heuristic

inferred from SMILES

3-[14-hydroxy-10-(hydroxymethyl)-13-methyl-3-(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

1 reference

536.298532988 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

Coroglaucigenin-3-o-alpha-L-rhamnopyranoside

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

3-O-alpha-L-Rhamnopyranosylcannogenol

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₄₄O₉

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canonical SMILES

O=C1OCC(=C1)C2CCC3(O)C4CCC5CC(OC6OC(C)C(O)C(O)C6O)CCC5(CO)C4CCC23C

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isomeric SMILES

C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(CO)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)CC[C@]43O)C2)[C@H](O)[C@H](O)[C@@H]1O

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found in taxon

Asclepias incarnata

1 reference

stated in

Cardenolide and oxypregnane glycosides from the root of Asclepias incarnata L

Calotropis procera

1 reference

stated in

Complete and signal assignments of 5α-cardenolides isolated from Calotropis procera R. BR.

Mallotus nudiflorus

1 reference

stated in

Cardenolides and Cardiac Aglycone from the Stem Bark ofTrewia nudiflora

Identifiers

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+/m1/s1

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InChIKey

WPVGSIBYLZQSIK-ZAFSJQLXSA-N

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CAS Registry Number

546-02-1

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

26 December 2021

matched by identifier from

InChIKey

WPVGSIBYLZQSIK-ZAFSJQLXSA-N

1 reference

(Q105310215)

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

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Identifiers

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