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5.alpha.-Cholesta-14,16-dien-3.beta.-ol
SpectraBase Compound ID D9I84t05LmW
InChI InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h11-12,18-22,25,28H,6-10,13-17H2,1-5H3/t19-,20+,21+,22+,25+,26+,27-/m1/s1
InChIKey ROQFWBSQMXBHRE-NFROOHGWSA-N
Mol Weight 384.6 g/mol
Molecular Formula C27H44O
Exact Mass 384.339216 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CJP2q0GvTq7
Name 5.alpha.-Cholesta-14,16-dien-3.beta.-ol
Alternate Name(s) (3beta,5alpha)-cholesta-14,16-dien-3-ol (3S,5S,8R,9S,10S,13R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H44O
InChI InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h11-12,18-22,25,28H,6-10,13-17H2,1-5H3/t19-,20+,21+,22+,25+,26+,27-/m1/s1
InChIKey ROQFWBSQMXBHRE-NFROOHGWSA-N
Molecular Weight 384.648 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@]4(C([C@@]3(CC[C@]2(C1)[H])[H])=CC=C4[C@@](CCCC(C)C)(C)[H])C)[H])C)[H]
SPLASH splash10-001i-0093000000-8865c70401327df13f0f
Source of Spectrum KC-0-1701-10
Wiley ID 831029