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(E,E,E)-6,10,14-Trimethyl-3-methylene-cis-3a,4,5,8,9,12,13,15a-octahydro-cyclotetradeca-[B]-furan-2(3H)-one
SpectraBase Compound ID 1A2w3DwIpkv
InChI InChI=1S/C20H28O2/c1-14-7-5-9-15(2)11-12-18-17(4)20(21)22-19(18)13-16(3)10-6-8-14/h8-9,13,18-19H,4-7,10-12H2,1-3H3/b14-8+,15-9+,16-13+/t18-,19-/m1/s1
InChIKey RCAHBKAGTYTMES-XBHYWXHNSA-N
Mol Weight 300.44 g/mol
Molecular Formula C20H28O2
Exact Mass 300.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3MRvIHcMcK
Name (1r,2r,3e,7e,11e)-cembra-3,7,11,15-tetraen-17,2-olide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O2
InChI InChI=1S/C20H28O2/c1-14-7-5-9-15(2)11-12-18-17(4)20(21)22-19(18)13-16(3)10-6-8-14/h8-9,13,18-19H,4-7,10-12H2,1-3H3/b14-8+,15-9+,16-13+/t18-,19-/m1/s1
InChIKey RCAHBKAGTYTMES-XBHYWXHNSA-N
Ionization Type EI-B
Molecular Weight 300.442 g/mol
SMILES [C@@]12(C(=C)C(=O)O[C@@]2(\C=C/(C)CC\C=C/(C)CC\C=C/(C)CC1)[H])[H]
SPLASH splash10-00kf-9600000000-973aea95ebae19c01bd8
Source of Spectrum SRH-2022-10642-0
Wiley ID 1832255