(Q105252956)

English

10-[3,5-Dihydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-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 C₄₀H₆₄O₁₂

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instance of

group of stereoisomers

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subclass of

oleanane triterpenoid

1 reference

inferred from

oleanane triterpenoid

mass

736.9305 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₀H₆₄O₁₂

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canonical SMILES

O=C(O)C12CCC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OCC(O)C(OC7OCC(O)C(O)C7O)C6O)C(C)(CO)C5CCC4(C)C3(C)CC1

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Identifiers

InChI

InChI=1S/C40H64O12/c1-35(2)13-15-40(34(47)48)16-14-38(5)21(22(40)17-35)7-8-26-36(3)11-10-27(37(4,20-41)25(36)9-12-39(26,38)6)51-33-30(46)31(24(43)19-50-33)52-32-29(45)28(44)23(42)18-49-32/h7,22-33,41-46H,8-20H2,1-6H3,(H,47,48)

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InChIKey

SHGCFQDGGXDIFG-UHFFFAOYSA-N

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PubChem CID

162846893

1 reference

based on heuristic

inferred from InChIKey

(Q105252956)

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

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