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24-Methylene-5.alpha.-cholestane-1.alpha.,3.beta.,11.alpha.,18-tetrol 18-acetate

View entire compound with spectra: 1 MS (GC)

24-Methylene-5.alpha.-cholestane-1.alpha.,3.beta.,11.alpha.,18-tetrol 18-acetate
SpectraBase Compound ID 2kXv9eRycwG
InChI InChI=1S/C30H50O5/c1-17(2)18(3)7-8-19(4)24-11-12-25-23-10-9-21-13-22(32)14-27(34)29(21,6)28(23)26(33)15-30(24,25)16-35-20(5)31/h17,19,21-28,32-34H,3,7-16H2,1-2,4-6H3/t19-,21+,22-,23+,24-,25+,26-,27+,28-,29-,30+/m1/s1
InChIKey PIAOUVSQYHJGPP-OWMHPOIBSA-N
Mol Weight 490.7 g/mol
Molecular Formula C30H50O5
Exact Mass 490.365825 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2yfBoffLYe
Name 24-Methylene-5.alpha.-cholestane-1.alpha.,3.beta.,11.alpha.,18-tetrol 18-acetate
Alternate Name(s) (1alpha,3beta,5alpha,11alpha)-1,3,11-trihydroxyergost-24(28)-en-18-yl acetate
CAS Registry Number 97190-38-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H50O5
InChI InChI=1S/C30H50O5/c1-17(2)18(3)7-8-19(4)24-11-12-25-23-10-9-21-13-22(32)14-27(34)29(21,6)28(23)26(33)15-30(24,25)16-35-20(5)31/h17,19,21-28,32-34H,3,7-16H2,1-2,4-6H3/t19-,21+,22-,23+,24-,25+,26-,27+,28-,29-,30+/m1/s1
InChIKey PIAOUVSQYHJGPP-OWMHPOIBSA-N
Molecular Weight 490.725 g/mol
SMILES O[C@]1([C@@]2([C@]3([C@](C[C@@](C[C@@]3(CC[C@]2([C@]2([C@](C1)([C@](CC2)([C@@](CCC(=C)C(C)C)(C)[H])[H])COC(=O)C)[H])[H])[H])(O)[H])(O)[H])C)[H])[H]
SPLASH splash10-0a5a-0519400000-aec6fdfaedbde01f5d9e
Source of Spectrum J-50-2991-5
Wiley ID 1397326