(Q115951917)

English

6-(2-hexadecoxyethyl)-2-(hydroxymethyl)-2,5,7-trimethyl-3H-inden-1-one

group of stereoisomers with the chemical formula C₃₁H₅₂O₃

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Statements

group of stereoisomers

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chemical compound

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472.391645524 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₅₂O₃

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canonical SMILES

O=C1C2=C(C(=C(C=C2CC1(C)CO)C)CCOCCCCCCCCCCCCCCCC)C

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Pteridium aquilinum

1 reference

Chemical and toxicological studies on bracken fern, Pteridium aquilinum var. latiusculum. I. Introduction, extraction and fractionation of constituents, and toxicological studies including carcinogenicity tests

Identifiers

InChI=1S/C31H52O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-34-21-19-28-25(2)22-27-23-31(4,24-32)30(33)29(27)26(28)3/h22,32H,5-21,23-24H2,1-4H3

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WVVSOLQNKKCUJM-UHFFFAOYSA-N

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1 reference

2 January 2023

based on heuristic

inferred from InChIKey

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