(Q105134109)

English

3-Hydroxy-11-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,13,14,14a-tetradecahydropicene-4-carboxylic acid

group of stereoisomers with the chemical formula C₃₆H₅₈O₁₀

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Statements

instance of

group of stereoisomers

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subclass of

oleanane triterpenoid

1 reference

inferred from

oleanane triterpenoid

mass

650.402998056 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₅₈O₁₀

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canonical SMILES

O=C(O)C1(C)C(O)CCC2(C)C1CCC3(C)C2CCC4=C5CC(C)(CO)C(OC6OC(CO)C(O)C(O)C6O)CC5(C)CCC43C

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Identifiers

InChI

InChI=1S/C36H58O10/c1-31-13-14-34(4)19(7-8-22-33(3)11-10-24(39)36(6,30(43)44)23(33)9-12-35(22,34)5)20(31)15-32(2,18-38)25(16-31)46-29-28(42)27(41)26(40)21(17-37)45-29/h21-29,37-42H,7-18H2,1-6H3,(H,43,44)

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InChIKey

JRUMWYZLACCEFR-UHFFFAOYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JRUMWYZLACCEFR-UHFFFAOYSA-N

(Q105134109)

3-Hydroxy-11-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,13,14,14a-tetradecahydropicene-4-carboxylic acid

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