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4-Aza-A-homocholest-5-en-3-one, 4-hydroxy-4a,4a-dimethyl-
SpectraBase Compound ID 2TKNTSuq62V
InChI InChI=1S/C29H49NO2/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)30(32)26(31)16-18-29(25,7)24(21)15-17-28(22,23)6/h14,19-24,32H,8-13,15-18H2,1-7H3/t20-,21+,22-,23+,24+,28-,29-/m1/s1
InChIKey AHXKTYQZZKRGTP-KOVCEZANSA-N
Mol Weight 443.7 g/mol
Molecular Formula C29H49NO2
Exact Mass 443.37633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gk5aznn1zDL
Name 4-Aza-A-homocholest-5-en-3-one, 4-hydroxy-4a,4a-dimethyl-
CAS Registry Number 72340-53-5
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H49NO2
InChI InChI=1S/C29H49NO2/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)30(32)26(31)16-18-29(25,7)24(21)15-17-28(22,23)6/h14,19-24,32H,8-13,15-18H2,1-7H3/t20-,21+,22-,23+,24+,28-,29-/m1/s1
InChIKey AHXKTYQZZKRGTP-KOVCEZANSA-N
Molecular Weight 443.716 g/mol
SMILES ON1C(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=O)C)(C)C
SPLASH splash10-056r-5001900000-9ada715c393ee8f75efe
Source of Spectrum KC-1982-115-0
Synonyms (5aR,5bS,7aR,8R,10aS,10bS)-8-[(1R)-1,5-dimethylhexyl]-2-hydroxy-1,1,5a,7a-tetramethyl-1,4,5,5a,5b,6,7,7a,8,9,10,10a,10b,11-tetradecahydrocyclopenta[5,6]naphtho[2,1-c]azepin-3(2H)-one Cyclopenta[5,6]naphth[2,1-c]azepine, 4-aza-a-homocholest-5-en-3-one deriv. N-Hydroxy-4a,4a-dimethyl-4-aza-4a-homocholest-5-en-3-one
Wiley ID 1385791