(Q105324261)

English

(Z,6S)-2-methyl-6-[[(1S,3R,6S,12S,15S,16R)-7,7,12,15,16-pentamethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]hept-3-en-2-ol

group of stereoisomers with the chemical formula C₃₁H₅₂O₂

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Statements

group of stereoisomers

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chemical compound

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456.396730904 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₁H₅₂O₂

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canonical SMILES

OC(C=CCC(OC1CCC23CC43CCC5(C)C(C)CCC5(C)C4CCC2C1(C)C)C)(C)C

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isomeric SMILES

C[C@@H](C/C=C\C(C)(C)O)O[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H](C)CC[C@@]2(C)C4CCC3C1(C)C

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Euphorbia bupleuroides

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Terpenoids and other constituents from Euphorbia bupleuroides

Identifiers

InChI=1S/C31H52O2/c1-21-13-16-29(8)24-12-11-23-27(5,6)25(33-22(2)10-9-15-26(3,4)32)14-17-30(23)20-31(24,30)19-18-28(21,29)7/h9,15,21-25,32H,10-14,16-20H2,1-8H3/b15-9-/t21-,22-,23?,24?,25-,28+,29-,30+,31-/m0/s1

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XAZUSEKHUAZKNO-BZMZKZLRSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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