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14,15-Seco-5alpha-cholestane-3beta,14beta,15-triol

View entire compound with spectra: 1 MS (GC)

14,15-Seco-5alpha-cholestane-3beta,14beta,15-triol
SpectraBase Compound ID 66YjnLobEL5
InChI InChI=1S/C27H50O3/c1-18(2)7-6-8-19(3)23(13-16-28)27(5)15-12-24-22(25(27)30)10-9-20-17-21(29)11-14-26(20,24)4/h18-25,28-30H,6-17H2,1-5H3/t19-,20+,21+,22-,23-,24+,25+,26+,27-/m1/s1
InChIKey MZXQILDKUXFHJO-PNIPQYGLSA-N
Mol Weight 422.7 g/mol
Molecular Formula C27H50O3
Exact Mass 422.375995 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 16NCBqHqwR
Name 14,15-Seco-5alpha-cholestane-3beta,14beta,15-triol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H50O3
InChI InChI=1S/C27H50O3/c1-18(2)7-6-8-19(3)23(13-16-28)27(5)15-12-24-22(25(27)30)10-9-20-17-21(29)11-14-26(20,24)4/h18-25,28-30H,6-17H2,1-5H3/t19-,20+,21+,22-,23-,24+,25+,26+,27-/m1/s1
InChIKey MZXQILDKUXFHJO-PNIPQYGLSA-N
Molecular Weight 422.694 g/mol
SMILES OCC[C@@]([C@]1(CC[C@@]2([C@]3(CC[C@@](C[C@@]3(CC[C@]2([C@@]1(O)[H])[H])[H])(O)[H])C)[H])C)([C@@](CCCC(C)C)(C)[H])[H]
SPLASH splash10-014i-0090000000-f2a11d129b81c98d1acf
Source of Spectrum CJC-11-260-8
Synonyms (1S,2R,4aS,4bS,7S,8aS,10aR)-2-((3R,4R)-1-hydroxy-4,8-dimethylnonan-3-yl)-2,4b-dimethyltetradecahydrophenanthrene-1,7-diol
Wiley ID 1801029