(Q104937876)

English

11-Hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-3,10-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-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 C₄₂H₆₈O₁₆

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instance of

group of stereoisomers

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subclass of

oleanane triterpenoid

1 reference

inferred from

oleanane triterpenoid

mass

828.4507360960005 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₂H₆₈O₁₆

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canonical SMILES

O=C(O)C12CCC3(C(=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2CC(C)(C)C(OC7OC(CO)C(O)C(O)C7O)C1)C

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Identifiers

InChI

InChI=1S/C42H68O16/c1-37(2)13-20-19-7-8-25-38(3)14-21(46)33(58-35-32(52)30(50)28(48)23(17-44)56-35)39(4,18-45)24(38)9-10-41(25,6)40(19,5)11-12-42(20,36(53)54)15-26(37)57-34-31(51)29(49)27(47)22(16-43)55-34/h7,20-35,43-52H,8-18H2,1-6H3,(H,53,54)

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InChIKey

BLBAJUMJICJXHK-UHFFFAOYSA-N

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PubChem CID

162938652

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

BLBAJUMJICJXHK-UHFFFAOYSA-N

(Q104937876)

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

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