(Q115971576)

English

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2S,4R,8S,9S,12S)-2-formyl-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-4-carboxylate

group of stereoisomers with the chemical formula C₂₆H₃₈O₈

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

478.256668176 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₈O₈

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canonical SMILES

O=CC1C2C(C(=O)OC3OC(CO)C(O)C(O)C3O)(C)CCCC2(C)C4CCC5C(=C)CC14C5

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isomeric SMILES

C=C1C[C@]23C[C@@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1[C@@H]3C=O

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found in taxon

Ipomoea nil

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stated in

Diterpene glycosides from the seeds of Pharbitis nil.

Identifiers

InChI

InChI=1S/C26H38O8/c1-13-9-26-10-14(13)5-6-17(26)24(2)7-4-8-25(3,21(24)15(26)11-27)23(32)34-22-20(31)19(30)18(29)16(12-28)33-22/h11,14-22,28-31H,1,4-10,12H2,2-3H3/t14-,15-,16+,17-,18+,19-,20+,21?,22-,24-,25+,26+/m0/s1

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InChIKey

CWSYHNWOKDWRFO-QOSBJHQBSA-N

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2 references

3 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

CWSYHNWOKDWRFO-QOSBJHQBSA-N

1 reference

(Q115971576)

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2S,4R,8S,9S,12S)-2-formyl-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-4-carboxylate

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Identifiers

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