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Bicyclo[4.2.0]octane-2-acetic acid, 8-acetyl-3,7-dimethyl-7-(4-methylpentyl)-, [1R-(1.alpha.,2.beta.,3.beta.,6.alpha.,7.beta.,8.alpha.)]-
SpectraBase Compound ID JcYHAkOdBty
InChI InChI=1S/C20H34O3/c1-12(2)7-6-10-20(5)16-9-8-13(3)15(11-17(22)23)18(16)19(20)14(4)21/h12-13,15-16,18-19H,6-11H2,1-5H3,(H,22,23)/t13-,15-,16+,18-,19+,20+/m1/s1
InChIKey POZLFAOHBXUMFI-OGTXFPKISA-N
Mol Weight 322.5 g/mol
Molecular Formula C20H34O3
Exact Mass 322.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CCO7kLc8Uoh
Name Bicyclo[4.2.0]octane-2-acetic acid, 8-acetyl-3,7-dimethyl-7-(4-methylpentyl)-, [1R-(1.alpha.,2.beta.,3.beta.,6.alpha.,7.beta.,8.alpha.)]-
CAS Registry Number 77912-00-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H34O3
InChI InChI=1S/C20H34O3/c1-12(2)7-6-10-20(5)16-9-8-13(3)15(11-17(22)23)18(16)19(20)14(4)21/h12-13,15-16,18-19H,6-11H2,1-5H3,(H,22,23)/t13-,15-,16+,18-,19+,20+/m1/s1
InChIKey POZLFAOHBXUMFI-OGTXFPKISA-N
Molecular Weight 322.489 g/mol
SMILES OC(C[C@]1([C@]2([C@@]([C@]([C@]2(CC[C@]1(C)[H])[H])(CCCC(C)C)C)(C(=O)C)[H])[H])[H])=O
SPLASH splash10-01p9-0091000000-d2333a9bef481690b6a5
Source of Spectrum F-36-3258-0
Synonyms 15-oxo-14,15-secodecipi-14-oic acid [(1R,2R,3R,6S,7S,8S)-8-acetyl-3,7-dimethyl-7-(4-methylpentyl)bicyclo[4.2.0]oct-2-yl]acetic acid
Wiley ID 1322020