(Q105276663)

English

6-[[8,9-Dihydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

group of stereoisomers with the chemical formula C₄₁H₆₄O₁₃

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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

764.4346921080003 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₁H₆₄O₁₃

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canonical SMILES

O=C(O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C5C6CC(C)(C)C(OC(=O)C(=CC)C)C(O)C6(CO)C(O)CC54C)C2(C)CO)C(O)C(O)C1O

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Identifiers

InChI

InChI=1S/C41H64O13/c1-9-20(2)34(51)54-32-31(48)41(19-43)22(16-36(32,3)4)21-10-11-24-37(5)14-13-26(52-35-29(47)27(45)28(46)30(53-35)33(49)50)38(6,18-42)23(37)12-15-39(24,7)40(21,8)17-25(41)44/h9-10,22-32,35,42-48H,11-19H2,1-8H3,(H,49,50)

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InChIKey

UOZWTEQSPIEUHT-UHFFFAOYSA-N

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PubChem CID

72729199

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

UOZWTEQSPIEUHT-UHFFFAOYSA-N

1 reference

(Q105276663)

6-[[8,9-Dihydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

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