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3-Aza-A-homocholestan-4-one, 4a,4a-dimethyl-, (5.alpha.)-
SpectraBase Compound ID 7JJ79ILwUWZ
InChI InChI=1S/C29H51NO/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(31)30-18-17-29(25,7)24(21)15-16-28(22,23)6/h19-25H,8-18H2,1-7H3,(H,30,31)/t20-,21+,22-,23+,24+,25+,28-,29-/m1/s1
InChIKey HLHYOFYOJSVQIO-YLFAAKNDSA-N
Mol Weight 429.7 g/mol
Molecular Formula C29H51NO
Exact Mass 429.397065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3eVPRKzGXA
Name 3-Aza-A-homocholestan-4-one, 4a,4a-dimethyl-, (5.alpha.)-
CAS Registry Number 73311-16-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H51NO
InChI InChI=1S/C29H51NO/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(31)30-18-17-29(25,7)24(21)15-16-28(22,23)6/h19-25H,8-18H2,1-7H3,(H,30,31)/t20-,21+,22-,23+,24+,25+,28-,29-/m1/s1
InChIKey HLHYOFYOJSVQIO-YLFAAKNDSA-N
Molecular Weight 429.733 g/mol
SMILES N1C(C([C@@]2(CC[C@]3([C@]4([C@](CC[C@@]3([C@]2(CC1)C)[H])([C@](CC4)([C@@](CCCC(C)C)(C)[H])[H])C)[H])[H])[H])(C)C)=O
SPLASH splash10-000l-9005300000-f57cf728603c0fc69089
Source of Spectrum KC-1979-2924-0
Synonyms Cyclopenta[5,6]naphth[1,2-d]azepine, 3-aza-A-homocholestan-4-one deriv. (5aR,5bS,7aR,8R,10aS,10bS,12aR)-8-[(1R)-1,5-dimethylhexyl]-1,1,5a,7a-tetramethylhexadecahydrocyclopenta[5,6]naphtho[1,2-d]azepin-2(1H)-one 4a,4a-dimethyl-3-aza-a-homo-5.alpha.-cholestan-4-one
Wiley ID 1381279