(Q105030311)

English

3,13-dihydroxy-14-methoxy-4,6a,6b,8a,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picene-4-carbaldehyde

group of stereoisomers with the chemical formula C₃₁H₅₀O₄

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Statements

instance of

group of stereoisomers

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subclass of

taraxastane / ursane triterpenoid

1 reference

inferred from

taraxastane / ursane triterpenoid

mass

486.37091008 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₅₀O₄

0 references

canonical SMILES

O=CC1(C)C(O)CCC2(C)C1CCC3(C)C2C(OC)C(O)=C4C5C(C)C(C)CCC5(C)CCC43C

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Identifiers

InChI

InChI=1S/C31H50O4/c1-18-9-12-27(3)15-16-30(6)23(22(27)19(18)2)24(34)25(35-8)26-28(4)13-11-21(33)29(5,17-32)20(28)10-14-31(26,30)7/h17-22,25-26,33-34H,9-16H2,1-8H3

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InChIKey

HLUVBIFRJRAYSU-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HLUVBIFRJRAYSU-UHFFFAOYSA-N

(Q105030311)

3,13-dihydroxy-14-methoxy-4,6a,6b,8a,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picene-4-carbaldehyde

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