(Q105264820)

English

(1S,3R,6S,11S,12S,15R,16R)-15-[(2R)-6-hydroperoxy-6-methylheptan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol

group of stereoisomers with the chemical formula C₃₀H₅₂O₃

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Statements

group of stereoisomers

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cycloartane triterpenoid

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cycloartane triterpenoid

460.391645524 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₂O₃

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canonical SMILES

OOC(C)(C)CCCC(C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC54CC35CCC12C

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isomeric SMILES

C[C@H](CCCC(C)(C)OO)[C@H]1CC[C@@]2(C)[C@@H]3CCC4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C

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Euphorbia bupleuroides

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Terpenoids and other constituents from Euphorbia bupleuroides

Identifiers

InChI=1S/C30H52O3/c1-20(9-8-14-25(2,3)33-32)21-12-15-28(7)23-11-10-22-26(4,5)24(31)13-16-29(22)19-30(23,29)18-17-27(21,28)6/h20-24,31-32H,8-19H2,1-7H3/t20-,21-,22?,23+,24+,27-,28+,29-,30+/m1/s1

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TUKFJQKYIHLUEX-UORVSMFKSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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