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26,27-Dinorcholest-5-en-22-yne-3,20-diol, (3.beta.)-
SpectraBase Compound ID 5j9a2gF7dfp
InChI InChI=1S/C25H38O2/c1-5-6-13-25(4,27)22-10-9-20-19-8-7-17-16-18(26)11-14-23(17,2)21(19)12-15-24(20,22)3/h7,18-22,26-27H,5,8-12,14-16H2,1-4H3/t18-,19-,20-,21-,22-,23-,24-,25-/m0/s1
InChIKey CJZLFIBWXWKTTQ-PRQSBNOCSA-N
Mol Weight 370.6 g/mol
Molecular Formula C25H38O2
Exact Mass 370.28718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FwGwkqjybjz
Name 26,27-Dinorcholest-5-en-22-yne-3,20-diol, (3.beta.)-
Alternate Name(s) (1S,2R,5S,10S,11S,14S,15S)-14-[(2R)-2-hydroxyhex-3-yn-2-yl]-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-7-en-5-ol 26,27-dinor-cholest-5-en-22-yn-3.beta.,20(R)-diol
CAS Registry Number 115941-26-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H38O2
InChI InChI=1S/C25H38O2/c1-5-6-13-25(4,27)22-10-9-20-19-8-7-17-16-18(26)11-14-23(17,2)21(19)12-15-24(20,22)3/h7,18-22,26-27H,5,8-12,14-16H2,1-4H3/t18-,19-,20-,21-,22-,23-,24-,25-/m0/s1
InChIKey CJZLFIBWXWKTTQ-PRQSBNOCSA-N
Molecular Weight 370.577 g/mol
SMILES O[C@]1(CC[C@]2(C(=CC[C@]3([C@]4([C@@]([C@@]([C@](C#CCC)(O)C)(CC4)[H])(CC[C@]23[H])C)[H])[H])C1)C)[H]
SPLASH splash10-05fr-0092000000-a4fc5cf66bb3c3d06e22
Source of Spectrum F-44-1151-15
Wiley ID 1354680