(Q105030617)

English

3-[(3S,5S,8R,9S,10R,13R,14S,17R)-14-hydroxy-10-(hydroxymethyl)-13-methyl-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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

552.293447608 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₄O₁₀

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canonical SMILES

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

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isomeric SMILES

C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]43CO)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1

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found in taxon

Asclepias subulata

1 reference

stated in

Cardenolides and a lignan from asclepias subulata

Coronilla glauca

2 references

stated in

Cardenolides of the seeds ofCoronilla glauca and ofC. scorpioides. New glycosides alloglaucoside and scorpiosidol

stated in

Cardenolides ofCoronilla glauca andC. scorpioides

Coronilla scorpioides

2 references

stated in

Cardenolides of the seeds ofCoronilla glauca and ofC. scorpioides. New glycosides alloglaucoside and scorpiosidol

stated in

Cardenolides ofCoronilla glauca andC. scorpioides

Coronilla valentina

2 references

stated in

Cardenolides of the seeds ofCoronilla glauca and ofC. scorpioides. New glycosides alloglaucoside and scorpiosidol

stated in

Cardenolides ofCoronilla glauca andC. scorpioides

Identifiers

InChI

InChI=1S/C29H44O10/c1-27-7-5-19-20(29(27,36)9-6-18(27)15-10-22(32)37-13-15)3-2-16-11-17(4-8-28(16,19)14-31)38-26-25(35)24(34)23(33)21(12-30)39-26/h10,16-21,23-26,30-31,33-36H,2-9,11-14H2,1H3/t16-,17-,18+,19-,20+,21+,23+,24-,25+,26+,27+,28+,29-/m0/s1

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InChIKey

HMPCXZPEEFWOAA-RFTNVSRNSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HMPCXZPEEFWOAA-RFTNVSRNSA-N

1 reference

(Q105030617)

3-[(3S,5S,8R,9S,10R,13R,14S,17R)-14-hydroxy-10-(hydroxymethyl)-13-methyl-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

Statements

Identifiers

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