(Q105009438)

English

Petasone A

group of stereoisomers with the chemical formula C₁₉H₂₆O₄S

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Statements

group of stereoisomers

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eremophilane sesquiterpenoid

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eremophilane sesquiterpenoid

350.155180312 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₉H₂₆O₄S

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canonical SMILES

O=C(OC1CCC2=CC(=O)C(=C(C)C)CC2(C)C1C)C=C[S+]([O-])C

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isomeric SMILES

CC(C)=C1C[C@@]2(C)C(=CC1=O)CC[C@@H](OC(=O)/C=C/[S+](C)[O-])[C@@H]2C

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Petasites formosanus

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Eremophilanes from Petasites formosanus KITAMURA.

Identifiers

InChI=1S/C19H26O4S/c1-12(2)15-11-19(4)13(3)17(7-6-14(19)10-16(15)20)23-18(21)8-9-24(5)22/h8-10,13,17H,6-7,11H2,1-5H3/b9-8+/t13-,17+,19+,24?/m0/s1

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GJJOCUQOAXECJY-GIMDOYSESA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

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