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PACIFICIN_J
SpectraBase Compound ID 2QG3NybcNJS
InChI InChI=1S/C20H32O/c1-15-8-6-9-16(2)17-14-18(17)20(5,13-10-15)12-7-11-19(3,4)21/h7-8,11,17-18,21H,2,6,9-10,12-14H2,1,3-5H3/b11-7+,15-8+/t17-,18+,20+/m1/s1
InChIKey SPKCOCUHKUVJLN-JHKFPMARSA-N
Mol Weight 288.5 g/mol
Molecular Formula C20H32O
Exact Mass 288.245316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KD0203hnN4H
Name Pacificin J
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O
InChI InChI=1S/C20H32O/c1-15-8-6-9-16(2)17-14-18(17)20(5,13-10-15)12-7-11-19(3,4)21/h7-8,11,17-18,21H,2,6,9-10,12-14H2,1,3-5H3/b11-7+,15-8+/t17-,18+,20+/m1/s1
InChIKey SPKCOCUHKUVJLN-JHKFPMARSA-N
Molecular Weight 288.475 g/mol
SMILES OC(\C=C\C[C@@]1([C@@]2([C@](C2)(C(=C)CC\C=C/(C)CC1)[H])[H])C)(C)C
SPLASH splash10-0002-9020000000-867f6a392d2343373ea1
Source of Spectrum X2-68-77-10
Synonyms (E)-5-[(1S,5E,9R,10S)-6,9-dimethyl-2-methylene-9-bicyclo[8.1.0]undec-5-enyl]-2-methyl-3-penten-2-ol (E)-5-[(1S,5E,9R,10S)-6,9-dimethyl-2-methylidene-9-bicyclo[8.1.0]undec-5-enyl]-2-methylpent-3-en-2-ol (E)-5-[(1S,5E,9R,10S)-6,9-dimethyl-2-methylidene-9-bicyclo[8.1.0]undec-5-enyl]-2-methyl-pent-3-en-2-ol
Wiley ID 1609434