(Q110199744)

English

3-[2-hydroxy-8,8-dimethyl-5,7-bis(3-methylbut-2-en-1-yl)-3-(3-methylbutanoyl)-4,9-dioxobicyclo[3.3.1]non-2-en-1-yl]-3-phenylpropanoic acid

group of stereoisomers with the chemical formula C₃₅H₄₆O₆

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Statements

group of stereoisomers

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chemical compound

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562.3294391919999 dalton

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based on heuristic

inferred from InChI

chemical formula

C₃₅H₄₆O₆

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canonical SMILES

O=C(O)CC(C=1C=CC=CC1)C23C(=O)C(C(=O)C(C(=O)CC(C)C)=C2O)(CC=C(C)C)CC(CC=C(C)C)C3(C)C

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Identifiers

InChI=1S/C35H46O6/c1-21(2)14-15-25-20-34(17-16-22(3)4)30(39)29(27(36)18-23(5)6)31(40)35(32(34)41,33(25,7)8)26(19-28(37)38)24-12-10-9-11-13-24/h9-14,16,23,25-26,40H,15,17-20H2,1-8H3,(H,37,38)

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IPZCGYQWRAPXMH-UHFFFAOYSA-N

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NMRShiftDB structure ID

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matched by identifier from

IPZCGYQWRAPXMH-UHFFFAOYSA-N

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