(Q105133170)

English

(6aR,6bS,8aR,12S,12aS,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-2,6,7,8,9,10,12,12a,14,14a-decahydro-1H-picen-3-one

group of stereoisomers with the chemical formula C₃₀H₄₄O

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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

420.339216028 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₄O

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canonical SMILES

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

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isomeric SMILES

C=C1CC[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CCC(=O)C(C)(C)C5=CC[C@]43C)[C@H]2[C@@H]1C

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found in taxon

Calotropis procera

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stated in

New ursane-type triterpenes from the root bark of Calotropis procera

Identifiers

InChI

InChI=1S/C30H44O/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/h9,12,20,23,25H,1,10-11,13-18H2,2-8H3/t20-,23?,25-,27-,28+,29-,30-/m1/s1

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InChIKey

JPUAKFAZBBXKGI-CJNQANTPSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JPUAKFAZBBXKGI-CJNQANTPSA-N

(Q105133170)

(6aR,6bS,8aR,12S,12aS,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-2,6,7,8,9,10,12,12a,14,14a-decahydro-1H-picen-3-one

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Identifiers

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