(Q104999790)

English

6-[[4,4,6a,6b,11,11,14b-Heptamethyl-8a-(3,4,5-trihydroxyoxan-2-yl)oxycarbonyl-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

0 references

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

0 references

canonical SMILES

O=C(O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C5C6CC(C)(C)CCC6(C(=O)OC7OCC(O)C(O)C7O)CCC54C)C2(C)C)C(O)C(O)C1O

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Identifiers

InChI

InChI=1S/C41H64O13/c1-36(2)14-16-41(35(50)54-33-29(46)26(43)22(42)19-51-33)17-15-39(6)20(21(41)18-36)8-9-24-38(5)12-11-25(37(3,4)23(38)10-13-40(24,39)7)52-34-30(47)27(44)28(45)31(53-34)32(48)49/h8,21-31,33-34,42-47H,9-19H2,1-7H3,(H,48,49)

0 references

InChIKey

FQQHBSIHBIECLU-UHFFFAOYSA-N

0 references

PubChem CID

162918776

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

FQQHBSIHBIECLU-UHFFFAOYSA-N

(Q104999790)

6-[[4,4,6a,6b,11,11,14b-Heptamethyl-8a-(3,4,5-trihydroxyoxan-2-yl)oxycarbonyl-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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