(Q105272700)

English

(1S,2R,4aR,6aS,6bR,10S,12aS)-10-hydroxy-1,2,4a,6a,6b,9,9,12a-octamethyl-1,2,3,4,5,6,6a,7,8,8a,10,11,12,14b-tetradecahydropicen-13-one

group of stereoisomers with the chemical formula C₃₀H₄₈O₂

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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

440.365430776 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₈O₂

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canonical SMILES

O=C1C=C2C3C(C)C(C)CCC3(C)CCC2(C)C4(C)CCC5C(C)(C)C(O)CCC5(C)C14

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isomeric SMILES

C[C@@H]1C2C3=CC(=O)C4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC[C@H]1C

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found in taxon

Esenbeckia grandiflora

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stated in

Alcaloides β-indolopiridoquinazolínicos de Esenbeckia grandiflora mart. (Rutaceae)

Identifiers

InChI

InChI=1S/C30H48O2/c1-18-9-12-27(5)15-16-29(7)20(24(27)19(18)2)17-21(31)25-28(6)13-11-23(32)26(3,4)22(28)10-14-30(25,29)8/h17-19,22-25,32H,9-16H2,1-8H3/t18-,19+,22?,23+,24?,25?,27-,28+,29-,30-/m1/s1

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InChIKey

UHBYXZSSQWLZHC-ZKEFPEJCSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UHBYXZSSQWLZHC-ZKEFPEJCSA-N

1 reference

(Q105272700)

(1S,2R,4aR,6aS,6bR,10S,12aS)-10-hydroxy-1,2,4a,6a,6b,9,9,12a-octamethyl-1,2,3,4,5,6,6a,7,8,8a,10,11,12,14b-tetradecahydropicen-13-one

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Identifiers

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