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(-)-trans-Cembranolide
SpectraBase Compound ID 1KMmm0QFk5S
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-ZEMHAMIXSA-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 GOUWPtEozwy
Name (1r,2s,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-ZEMHAMIXSA-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 splash10-0006-7900000000-2eb00feecb1e7783b40a
Source of Spectrum SRH-2022-10641-0
Wiley ID 1832254