(Q105169477)

English

(2E)-3-{3-[(1E)-1-[(2Z)-2-(2-hydroxypropylidene)-3,6,8-trimethyl-7-oxo-1,4a,5,6,8,8a-hexahydronaphthalen-1-yl]prop-1-en-2-yl]-2-methyloxiran-2-yl}prop-2-enoic acid

group of stereoisomers with the chemical formula C₂₅H₃₄O₅

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

414.240624188 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₄O₅

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canonical SMILES

O=C(O)C=CC1(OC1C(=CC2C(=CC(O)C)C(=CC3CC(C(=O)C(C)C23)C)C)C)C

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isomeric SMILES

CC1=CC2CC(C)C(=O)C(C)C2C(/C=C(\C)C2OC2(C)/C=C/C(=O)O)/C1=C/C(C)O

1 reference

1 reference

Hamigerone and Dihydrohamigerone: Two Acetate-Derived, Antifungal Metabolites from Hamigera avellanea.

Identifiers

InChI

InChI=1S/C25H34O5/c1-13-9-18-10-14(2)23(29)17(5)22(18)20(19(13)12-16(4)26)11-15(3)24-25(6,30-24)8-7-21(27)28/h7-9,11-12,14,16-18,20,22,24,26H,10H2,1-6H3,(H,27,28)/b8-7+,15-11+,19-12+

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InChIKey

MPFICLAVEJRDLI-DXGTXNHWSA-N

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(Q105169477)

(2E)-3-{3-[(1E)-1-[(2Z)-2-(2-hydroxypropylidene)-3,6,8-trimethyl-7-oxo-1,4a,5,6,8,8a-hexahydronaphthalen-1-yl]prop-1-en-2-yl]-2-methyloxiran-2-yl}prop-2-enoic acid

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