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(+/-)-Abiet-5-en-3-one
SpectraBase Compound ID GF2GYq0Os03
InChI InChI=1S/C20H32O/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(3,4)18(21)10-11-20(16,17)5/h9,13-16H,6-8,10-12H2,1-5H3/t14-,15-,16-,20+/m0/s1
InChIKey MBWVKFFQYATKPQ-ZKNHNOBHSA-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 2EFHn46JdYk
Name (+/-)-Abiet-5-en-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O
InChI InChI=1S/C20H32O/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(3,4)18(21)10-11-20(16,17)5/h9,13-16H,6-8,10-12H2,1-5H3/t14-,15-,16-,20+/m0/s1
InChIKey MBWVKFFQYATKPQ-ZKNHNOBHSA-N
Literature Reference DOI 10.1002/prac.19973390133
Molecular Weight 288.475 g/mol
SMILES C1=C2[C@@](CCC(C2(C)C)=O)(C)[C@]2([H])[C@@]([H])(C1)C[C@](CC2)(C(C)C)[H]
SPLASH splash10-00di-0940000000-189cb356b98c8b1d4aa5
Source of Spectrum JF-399-181-(+/_)_8
Synonyms (4aR,4bS,7S,8aR)-7-isopropyl-1,1,4a-trimethyl-3,4,4a,4b,5,6,7,8,8a,9-decahydrophenanthren-2(1H)-one
Wiley ID 1768356