(Q105313665)

English

[(2aS,5R,7aR)-2-acetyloxy-5-hydroxy-2a,7a-dimethyl-5-propan-2-yl-2,3,4,5a,6,7-hexahydro-1aH-azuleno[6,7-b]oxiren-6-yl] 2-methylbut-2-enoate

group of stereoisomers with the chemical formula C₂₂H₃₄O₆

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Statements

group of stereoisomers

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daucane sesquiterpenoid

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daucane sesquiterpenoid

394.235538808 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₄O₆

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canonical SMILES

O=C(OC1CC2(OC2C(OC(=O)C)C3(C)CCC(O)(C(C)C)C13)C)C(=CC)C

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isomeric SMILES

CC=C(C)C(=O)OC1C[C@@]2(C)OC2C(OC(C)=O)[C@@]2(C)CC[C@@](O)(C(C)C)C12

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Ferula vesceritensis

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Phytochemical investigation and antimicrobial activity of crude extract of the roots of Ferula vesceritensis

Identifiers

InChI=1S/C22H34O6/c1-8-13(4)19(24)27-15-11-21(7)18(28-21)17(26-14(5)23)20(6)9-10-22(25,12(2)3)16(15)20/h8,12,15-18,25H,9-11H2,1-7H3/t15?,16?,17?,18?,20-,21+,22+/m0/s1

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WVPPLOSRTXOZAP-DNTJBTFFSA-N

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17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

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