(Q104981278)

English

(6aR,6bS,8aR,11R,12S,12aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydropicen-3-one

group of stereoisomers with the chemical formula C₃₀H₄₈O

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Statements

instance of

group of stereoisomers

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subclass of

taraxastane / ursane triterpenoid

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inferred from

taraxastane / ursane triterpenoid

mass

424.370516156 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₈O

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canonical SMILES

O=C1CCC2(C)C(CCC3(C)C2CC=C4C5C(C)C(C)CCC5(C)CCC43C)C1(C)C

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isomeric SMILES

C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@]43C)[C@H]12

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found in taxon

Packera ionophylla

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stated in

Constituents of Senecio chionophilus with potential antitubercular activity

Identifiers

InChI

InChI=1S/C30H48O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-23,25H,10-18H2,1-8H3/t19-,20+,22?,23?,25+,27-,28+,29-,30-/m1/s1

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InChIKey

DIFWJJFSELKWGA-SDWYVESYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DIFWJJFSELKWGA-SDWYVESYSA-N

1 reference

(Q104981278)

(6aR,6bS,8aR,11R,12S,12aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydropicen-3-one

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Identifiers

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