(Q105223111)

English

[(1R,4aS)-4-[2-(furan-3-yl)ethyl]-4-hydroxy-3,4a,8,8-tetramethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate

group of stereoisomers with the chemical formula C₂₂H₃₄O₄

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Statements

group of stereoisomers

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1 reference

362.245709568 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₂H₃₄O₄

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canonical SMILES

O=C(OC1CC(C)C(O)(CCC2=COC=C2)C3(C)CCCC(C)(C)C13)C

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isomeric SMILES

CC(=O)O[C@@H]1CC(C)C(O)(CCc2ccoc2)[C@@]2(C)CCCC(C)(C)C12

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Vitex rotundifolia

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Association between chemical and genetic variation of Vitex rotundifolia populations from different locations in China: its implication for quality control of medicinal plants.

Identifiers

InChI=1S/C22H34O4/c1-15-13-18(26-16(2)23)19-20(3,4)9-6-10-21(19,5)22(15,24)11-7-17-8-12-25-14-17/h8,12,14-15,18-19,24H,6-7,9-11,13H2,1-5H3/t15?,18-,19?,21+,22?/m1/s1

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QKHCQFQIJKXMOE-RCFWFKTESA-N

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1 reference

2 January 2023

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

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