(Q105251730)

English

(3S,6aR,8aR,12bR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-hexadecahydropicen-3-yl acetate

group of stereoisomers with the chemical formula C₃₂H₅₂O₂

In more languages

Statements

group of stereoisomers

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taraxastane / ursane triterpenoid

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taraxastane / ursane triterpenoid

468.396730904 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₂H₅₂O₂

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canonical SMILES

O=C(OC1CCC2(C)C(CCC3(C)C2CCC4C5C(C(=C)CCC5(C)CCC43C)C)C1(C)C)C

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isomeric SMILES

C=C1CC[C@]2(C)CCC3(C)[C@H](CCC4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)C5CC[C@]43C)C2C1C

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Anti-emetic principles of Inula linariaefolia flowers and Forsythia suspensa fruits

Identifiers

InChI=1S/C32H52O2/c1-20-12-15-29(6)18-19-31(8)23(27(29)21(20)2)10-11-25-30(7)16-14-26(34-22(3)33)28(4,5)24(30)13-17-32(25,31)9/h21,23-27H,1,10-19H2,2-9H3/t21?,23-,24?,25?,26+,27?,29-,30+,31?,32-/m1/s1

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SFEUTIOWNUGQMZ-WIDYSLCOSA-N

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based on heuristic

inferred from InChIKey

UniChem compound ID

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