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Bicyclo[4.2.0]octa-2,4-diene-7-acetic acid, 8-(5-phenyl-2,4-pentadienyl)-, [1.alpha.,6.alpha.,7.beta.,8.alpha.(2E,4E)]-(.+-.)-
SpectraBase Compound ID LAnLbYyI6Zm
InChI InChI=1S/C21H22O2/c22-21(23)15-20-18(17-13-7-8-14-19(17)20)12-6-2-5-11-16-9-3-1-4-10-16/h1-11,13-14,17-20H,12,15H2,(H,22,23)/b6-2+,11-5+/t17-,18-,19-,20+/m1/s1
InChIKey JAGDNRCRBFUEMA-VKXNIHFLSA-N
Mol Weight 306.4 g/mol
Molecular Formula C21H22O2
Exact Mass 306.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6UVB6buGkeC
Name Bicyclo[4.2.0]octa-2,4-diene-7-acetic acid, 8-(5-phenyl-2,4-pentadienyl)-, [1.alpha.,6.alpha.,7.beta.,8.alpha.(2E,4E)]-(.+-.)-
Alternate Name(s) (1'RS,6'SR,7'SR,8'SR)-2-(8'-[(E,E)-5''-phenylpenta-2'',4''-dien-1''-yl]bicyclo[4.2.0]octa-2',4'-dien-7'-yl)acetic acid (1'RS,6'SR,7'SR,8'SR)-2-(8'-[(E,E)-5''-Phenylpenta-2'',4''-dien-1''-yl]bicyclo[4.2.0]octa-2',4'-dien-7'-yl)acetic acid Endiandric acid D {(1R,6S,7S,8S)-8-[(2E,4E)-5-phenyl-2,4-pentadienyl]bicyclo[4.2.0]octa-2,4-dien-7-yl}acetic acid
CAS Registry Number 82679-68-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O2
InChI InChI=1S/C21H22O2/c22-21(23)15-20-18(17-13-7-8-14-19(17)20)12-6-2-5-11-16-9-3-1-4-10-16/h1-11,13-14,17-20H,12,15H2,(H,22,23)/b6-2+,11-5+/t17-,18-,19-,20+/m1/s1
InChIKey JAGDNRCRBFUEMA-VKXNIHFLSA-N
Molecular Weight 306.405 g/mol
SMILES OC(C[C@@]1([C@@]2(C=CC=C[C@@]2([C@]1(C\C=C\C=C\c1ccccc1)[H])[H])[H])[H])=O
SPLASH splash10-00ou-4901000000-623d092fab88accfba5c
Source of Spectrum B-35-2256-0
Wiley ID 1308633