(Q104986839)

English

3-[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-3-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethoxyoxan-2-yl]oxy-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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3-[14-hydroxy-3-[5-hydroxy-6-(hydroxymethyl)-3,4-dimethoxyoxan-2-yl]oxy-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

1 reference

based on heuristic

inferred from SMILES

mass

564.329833116 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₄₈O₉

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canonical SMILES

O=C1OCC(=C1)C2CCC3(O)C4CCC5CC(OC6OC(CO)C(O)C(OC)C6OC)CCC5(C)C4CCC23C

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isomeric SMILES

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

0 references

found in taxon

Streblus asper

1 reference

stated in

Two New Cardenolide Glycosides from Streblus asper

Identifiers

InChI

InChI=1S/C31H48O9/c1-29-10-7-19(39-28-27(37-4)26(36-3)25(34)23(15-32)40-28)14-18(29)5-6-22-21(29)8-11-30(2)20(9-12-31(22,30)35)17-13-24(33)38-16-17/h13,18-23,25-28,32,34-35H,5-12,14-16H2,1-4H3/t18-,19+,20-,21+,22-,23-,25-,26+,27-,28-,29+,30-,31+/m1/s1

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InChIKey

DQBHGMOSNWSZOE-WVTYOPGZSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q104986839)

3-[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-3-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-dimethoxyoxan-2-yl]oxy-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

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Identifiers

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