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27-Norcholest-5-en-22-yne-3,20-diol, (3.beta.)-
SpectraBase Compound ID F7FC3v63GKo
InChI InChI=1S/C26H40O2/c1-5-6-7-14-26(4,28)23-11-10-21-20-9-8-18-17-19(27)12-15-24(18,2)22(20)13-16-25(21,23)3/h8,19-23,27-28H,5-6,9-13,15-17H2,1-4H3/t19-,20-,21-,22-,23-,24-,25-,26-/m0/s1
InChIKey LFDDJMGGNICYTD-CAQMSIDYSA-N
Mol Weight 384.6 g/mol
Molecular Formula C26H40O2
Exact Mass 384.302831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ymhz0UsW0H
Name 27-Norcholest-5-en-22-yne-3,20-diol, (3.beta.)-
Alternate Name(s) (1S,2R,5S,10S,11S,14S,15S)-14-[(2R)-2-hydroxyhept-3-yn-2-yl]-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-7-en-5-ol 27-nor-cholest-5-en-22-yn-3.beta.,20(R)-diol
CAS Registry Number 115941-27-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H40O2
InChI InChI=1S/C26H40O2/c1-5-6-7-14-26(4,28)23-11-10-21-20-9-8-18-17-19(27)12-15-24(18,2)22(20)13-16-25(21,23)3/h8,19-23,27-28H,5-6,9-13,15-17H2,1-4H3/t19-,20-,21-,22-,23-,24-,25-,26-/m0/s1
InChIKey LFDDJMGGNICYTD-CAQMSIDYSA-N
Molecular Weight 384.604 g/mol
SMILES O[C@]1(CC[C@]2(C(=CC[C@]3([C@]4([C@@]([C@@]([C@](C#CCCC)(O)C)(CC4)[H])(CC[C@]23[H])C)[H])[H])C1)C)[H]
SPLASH splash10-0ab9-0092000000-0d02657099623196c4a1
Source of Spectrum F-44-1151-15
Wiley ID 1361899