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Ethanone, 1-[(2.alpha.)-4,4-dimethyl-3-oxacholest-5-en-2-yl]-

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

Ethanone, 1-[(2.alpha.)-4,4-dimethyl-3-oxacholest-5-en-2-yl]-
SpectraBase Compound ID CFkGu4N7o4g
InChI InChI=1S/C30H50O2/c1-19(2)10-9-11-20(3)23-13-14-24-22-12-15-27-28(5,6)32-26(21(4)31)18-30(27,8)25(22)16-17-29(23,24)7/h15,19-20,22-26H,9-14,16-18H2,1-8H3/t20-,22?,23-,24?,25?,26+,29-,30-/m1/s1
InChIKey MXMXRLIHOFBGTK-OZBXNKKXSA-N
Mol Weight 442.7 g/mol
Molecular Formula C30H50O2
Exact Mass 442.381081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LVzahF9XMgM
Name Ethanone, 1-[(2.alpha.)-4,4-dimethyl-3-oxacholest-5-en-2-yl]-
CAS Registry Number 72340-57-9
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H50O2
InChI InChI=1S/C30H50O2/c1-19(2)10-9-11-20(3)23-13-14-24-22-12-15-27-28(5,6)32-26(21(4)31)18-30(27,8)25(22)16-17-29(23,24)7/h15,19-20,22-26H,9-14,16-18H2,1-8H3/t20-,22?,23-,24?,25?,26+,29-,30-/m1/s1
InChIKey MXMXRLIHOFBGTK-OZBXNKKXSA-N
Molecular Weight 442.728 g/mol
SMILES [C@@]12(C(C(C)(C)O[C@@](C2)(C(=O)C)[H])=CCC2C3CC[C@@]([C@]3(CCC12)C)([C@@](CCCC(C)C)(C)[H])[H])C
SPLASH splash10-004i-2002900000-459c8f59c44daaedf6e1
Source of Spectrum KC-1981-248-0
Synonyms .alpha.-2.XI.-acetyl-4,4-dimethyl-3-oxacholest-5-ene 1-{(3S,4aR,6aR,7R)-7-[(1R)-1,5-dimethylhexyl]-1,1,4a,6a-tetramethyl-1,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydrocyclopenta[5,6]naphtho[2,1-c]pyran-3-yl}ethanone 3-Oxacholestane, ethanone deriv. Cyclopenta[5,6]naphtho[2,1-c]pyran, ethanone deriv.
Wiley ID 1385600