(Q104397263)

English

Chaetantherol senecioate

group of stereoisomers with the chemical formula C₁₈H₂₀O₃S

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Statements

group of stereoisomers

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chemical compound

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316.1133155 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₈H₂₀O₃S

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canonical SMILES

O=C(OC1COC(C=CC#CC=2SC=CC2)CC1)C=C(C)C

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isomeric SMILES

CC(C)=CC(=O)O[C@@H]1CCC(/C=C/C#Cc2cccs2)OC1

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Chaetanthera chilensis

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Highly oxygenated sesquiterpenes from Polyachyrus sphaerocephalus and further constituents from chilean mutisieae

Identifiers

InChI=1S/C18H20O3S/c1-14(2)12-18(19)21-16-10-9-15(20-13-16)6-3-4-7-17-8-5-11-22-17/h3,5-6,8,11-12,15-16H,9-10,13H2,1-2H3/b6-3+/t15?,16-/m1/s1

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VPYPJILGQRJHIF-WMDGPGLJSA-N

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1 reference

26 December 2021

UniChem compound ID

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