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4-Aza-A-homocholest-5-en-3-one, 4-hydroxy-
SpectraBase Compound ID 4v6WVp8Fmub
InChI InChI=1S/C27H45NO2/c1-18(2)7-6-8-19(3)22-11-12-23-21-10-9-20-17-28(30)25(29)14-16-26(20,4)24(21)13-15-27(22,23)5/h9,18-19,21-24,30H,6-8,10-17H2,1-5H3/t19-,21+,22-,23+,24+,26+,27-/m1/s1
InChIKey UJPVTHBMEKKAGL-HZPUXBNGSA-N
Mol Weight 415.7 g/mol
Molecular Formula C27H45NO2
Exact Mass 415.34503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CFHxGUgiKgI
Name 4-Aza-A-homocholest-5-en-3-one, 4-hydroxy-
CAS Registry Number 81920-85-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H45NO2
InChI InChI=1S/C27H45NO2/c1-18(2)7-6-8-19(3)22-11-12-23-21-10-9-20-17-28(30)25(29)14-16-26(20,4)24(21)13-15-27(22,23)5/h9,18-19,21-24,30H,6-8,10-17H2,1-5H3/t19-,21+,22-,23+,24+,26+,27-/m1/s1
InChIKey UJPVTHBMEKKAGL-HZPUXBNGSA-N
Molecular Weight 415.662 g/mol
SMILES ON1CC=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
SPLASH splash10-014i-3009500000-57dae2f6380993ca21a9
Source of Spectrum KC-1982-115-0
Synonyms (5aR,5bS,7aR,8R,10aS,10bS)-8-[(1R)-1,5-dimethylhexyl]-2-hydroxy-5a,7a-dimethyl-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-4-aza-4a-homo-cholest-5-en-3-one
Wiley ID 1376095