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4a-oxa-4-hydroxy-A-homo-5.alpha.-cholestane

View entire compound with spectra: 1 MS (GC)

4a-oxa-4-hydroxy-A-homo-5.alpha.-cholestane
SpectraBase Compound ID F3dKT3zGP2g
InChI InChI=1S/C27H48O2/c1-18(2)8-6-9-19(3)21-12-13-22-20-11-14-24-27(5,16-7-10-25(28)29-24)23(20)15-17-26(21,22)4/h18-25,28H,6-17H2,1-5H3/t19-,20+,21-,22+,23+,24-,25?,26-,27-/m1/s1
InChIKey APCUUFIHLWEDSN-DNJJGZIHSA-N
Mol Weight 404.7 g/mol
Molecular Formula C27H48O2
Exact Mass 404.365431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5KHKl2C0zGT
Name 4a-oxa-4-hydroxy-A-homo-5.alpha.-cholestane
Alternate Name(s) (5aR,5bS,7aR,8R,10aS,10bS,12aR)-8-[(1R)-1,5-dimethylhexyl]-5a,7a-dimethylhexadecahydro-2H-cyclopenta[5,6]naphtho[2,1-b]oxepin-2-ol
CAS Registry Number 93789-75-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H48O2
InChI InChI=1S/C27H48O2/c1-18(2)8-6-9-19(3)21-12-13-22-20-11-14-24-27(5,16-7-10-25(28)29-24)23(20)15-17-26(21,22)4/h18-25,28H,6-17H2,1-5H3/t19-,20+,21-,22+,23+,24-,25?,26-,27-/m1/s1
InChIKey APCUUFIHLWEDSN-DNJJGZIHSA-N
Molecular Weight 404.679 g/mol
SMILES OC1O[C@]2([C@@]([C@]3(CC[C@]4([C@]([C@@]3(CC2)[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])(CCC1)C)[H]
SPLASH splash10-053r-9004000000-a0f4c7bea9cc7b7d3e1e
Source of Spectrum J-50-2492-27
Wiley ID 1371586