(Q105255510)

English

[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 1-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-(3,4,5-trihydroxyoxan-2-yl)oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

group of stereoisomers with the chemical formula C₄₁H₆₆O₁₃

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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

766.450342172 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₁H₆₆O₁₃

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canonical SMILES

O=C(OC1OC(CO)C(O)C(O)C1O)C23CCC(C)(C)C(O)C3C4=CCC5C6(C)CCC(OC7OCC(O)C(O)C7O)C(C)(C)C6CCC5(C)C4(C)CC2

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Identifiers

InChI

InChI=1S/C41H66O13/c1-36(2)14-16-41(35(50)54-34-31(48)29(46)28(45)22(18-42)52-34)17-15-39(6)20(26(41)32(36)49)8-9-24-38(5)12-11-25(37(3,4)23(38)10-13-40(24,39)7)53-33-30(47)27(44)21(43)19-51-33/h8,21-34,42-49H,9-19H2,1-7H3

0 references

InChIKey

SLQHZBXUSQZYTB-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SLQHZBXUSQZYTB-UHFFFAOYSA-N

(Q105255510)

[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 1-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-(3,4,5-trihydroxyoxan-2-yl)oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

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Identifiers

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