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(3E,7S,11Z)-7-hydroxy-3,11,15-cembratrien-20,28-olide
SpectraBase Compound ID Onk2fKv91Z
InChI InChI=1S/C20H30O3/c1-14(2)16-9-7-15(3)8-12-18(21)20(4)13-5-6-17(11-10-16)19(22)23-20/h6-7,16,18,21H,1,5,8-13H2,2-4H3/b15-7+/t16?,18-,20+/m0/s1
InChIKey MAFNJZZUTPINDH-BVQOYPTGSA-N
Mol Weight 318.46 g/mol
Molecular Formula C20H30O3
Exact Mass 318.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1fgLRtJ8Swy
Name (3E,7S,11Z)-7-hydroxy-3,11,15-cembratrien-20,28-olide
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O3
InChI InChI=1S/C20H30O3/c1-14(2)16-9-7-15(3)8-12-18(21)20(4)13-5-6-17(11-10-16)19(22)23-20/h6-7,16,18,21H,1,5,8-13H2,2-4H3/b15-7+/t16?,18-,20+/m0/s1
InChIKey MAFNJZZUTPINDH-BVQOYPTGSA-N
Instrument Name VG 70-25S
Ionization Type EI
Literature Reference DOI 10.1021/np030091o
Optical Rotation [a]D = +196.5 (c = 2.1, CHCl3)
Reported Formula C20H30O3
SMILES O[C@@]1([C@]2(CCC=C(CCC(C\C=C\(CC1)C)C(C)=C)C(O2)=O)C)[H]
SPLASH splash10-0w4j-0097000000-7beefe03d053ce19ba24
Source of Spectrum G4-66-1286-3
Wiley ID 1883980