(Q105150692)

English

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

group of stereoisomers with the chemical formula C₄₁H₆₄O₁₄

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Statements

instance of

group of stereoisomers

0 references

subclass of

oleanane triterpenoid

1 reference

inferred from

oleanane triterpenoid

mass

780.4296067280003 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₁H₆₄O₁₄

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canonical SMILES

O=C(O)C1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC4(C(=CCC5C6(C)CCC(OC7OCC(O)C(O)C7O)C(C)(C)C6CCC54C)C2C1)C

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Identifiers

InChI

InChI=1S/C41H64O14/c1-36(2)24-9-12-40(6)25(38(24,4)11-10-26(36)54-32-30(47)27(44)22(43)19-52-32)8-7-20-21-17-37(3,34(49)50)13-15-41(21,16-14-39(20,40)5)35(51)55-33-31(48)29(46)28(45)23(18-42)53-33/h7,21-33,42-48H,8-19H2,1-6H3,(H,49,50)

0 references

InChIKey

LEOICFXHQFYLOC-UHFFFAOYSA-N

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PubChem CID

73814577

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

LEOICFXHQFYLOC-UHFFFAOYSA-N

(Q105150692)

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

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