(Q115951942)

English

10-[4,5-Dihydroxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

group of stereoisomers with the chemical formula C₄₇H₇₆O₁₆

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

896.513336352 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₇H₇₆O₁₆

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canonical SMILES

O=C(O)C12CCC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC7OC(COC8OC(C)C(O)C(O)C8O)C(O)C(O)C7O)C(C)(C)C5CCC4(C)C3(C)CC1

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found in taxon

Akebia quinata

1 reference

stated in

The study on the constituents of Clematis and Akebia sp. III. The study on the structures of akebosides isolated from the stem of Akebia quinata decne.

Identifiers

InChI

InChI=1S/C47H76O16/c1-22-30(49)33(52)35(54)38(60-22)59-21-26-32(51)34(53)36(55)39(61-26)63-37-31(50)25(48)20-58-40(37)62-29-12-13-44(6)27(43(29,4)5)11-14-46(8)28(44)10-9-23-24-19-42(2,3)15-17-47(24,41(56)57)18-16-45(23,46)7/h9,22,24-40,48-55H,10-21H2,1-8H3,(H,56,57)

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InChIKey

PVIHUXKVGLMWEM-UHFFFAOYSA-N

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2 references

2 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

PVIHUXKVGLMWEM-UHFFFAOYSA-N

(Q115951942)

10-[4,5-Dihydroxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Statements

Identifiers

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