For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Ethanone, 1-[(5.beta.)-5-(hydroxymethyl)-4-oxacholest-2-en-2-yl]-
SpectraBase Compound ID HZ6loACAYYS
InChI InChI=1S/C29H48O3/c1-19(2)8-7-9-20(3)24-10-11-25-23-12-15-29(18-30)28(6,16-22(17-32-29)21(4)31)26(23)13-14-27(24,25)5/h17,19-20,23-26,30H,7-16,18H2,1-6H3/t20-,23?,24-,25?,26?,27-,28-,29-/m1/s1
InChIKey OVYGNOKIJKHMPY-UXVPYKKGSA-N
Mol Weight 444.7 g/mol
Molecular Formula C29H48O3
Exact Mass 444.360345 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID ELcS80aqBze
Name Ethanone, 1-[(5.beta.)-5-(hydroxymethyl)-4-oxacholest-2-en-2-yl]-
Alternate Name(s) 1-[(4aR,6aR,7R,11aS)-7-[(1R)-1,5-dimethylhexyl]-11a-(hydroxymethyl)-4a,6a-dimethyl-4,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydroindeno[5,4-f]chromen-3-yl]ethanone 2-Acetyl-4-oxa-5-hydroxymethylcholest-2-ene 4-Oxacholestane, ethanone deriv. Cyclopenta[5,6]naphtho[2,1-b]pyran, ethanone deriv.
CAS Registry Number 58028-18-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H48O3
InChI InChI=1S/C29H48O3/c1-19(2)8-7-9-20(3)24-10-11-25-23-12-15-29(18-30)28(6,16-22(17-32-29)21(4)31)26(23)13-14-27(24,25)5/h17,19-20,23-26,30H,7-16,18H2,1-6H3/t20-,23?,24-,25?,26?,27-,28-,29-/m1/s1
InChIKey OVYGNOKIJKHMPY-UXVPYKKGSA-N
Molecular Weight 444.700 g/mol
SMILES OC[C@]12[C@@](C3C(C4CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])CC2)(CC(=CO1)C(=O)C)C
SPLASH splash10-06r6-9000400000-d56fc75e9d53a440e946
Source of Spectrum KC-1981-249-0
Wiley ID 1386172