(Q104999533)

English

3-[(3S,5S,9R,10R,13R,14R,17R)-14-hydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]oxy-1,2,3,4,5,6,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

group of stereoisomers with the chemical formula C₂₈H₄₀O₁₀

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Statements

instance of

group of stereoisomers

0 references

1 reference

536.26214748 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₄₀O₁₀

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canonical SMILES

O=C1OCC(=C1)C2CCC3(O)C4=CCC5CC(OC6OC(O)C(O)C(O)C6O)CCC5(CO)C4CCC23C

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isomeric SMILES

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

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found in taxon

Gomphocarpus sinaicus

1 reference

stated in

Re-investigation of the cardenolide glycosides from Gomphocarpus sinaicus

Identifiers

InChI

InChI=1S/C28H40O10/c1-26-7-5-18-19(28(26,35)9-6-17(26)14-10-20(30)36-12-14)3-2-15-11-16(4-8-27(15,18)13-29)37-25-23(33)21(31)22(32)24(34)38-25/h3,10,15-18,21-25,29,31-35H,2,4-9,11-13H2,1H3/t15-,16-,17+,18-,21?,22+,23-,24?,25+,26+,27+,28-/m0/s1

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InChIKey

FQCNSQJHPSOGHM-CKORDJMKSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FQCNSQJHPSOGHM-CKORDJMKSA-N

(Q104999533)

3-[(3S,5S,9R,10R,13R,14R,17R)-14-hydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]oxy-1,2,3,4,5,6,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

Statements

Identifiers

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