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4-Hydroxy-6-methyl-4-aza-A-homo-5-cholesten-3-one
SpectraBase Compound ID 321GVULkA5g
InChI InChI=1S/C28H47NO2/c1-18(2)8-7-9-19(3)22-10-11-23-21-16-20(4)25-17-29(31)26(30)13-15-28(25,6)24(21)12-14-27(22,23)5/h18-19,21-24,31H,7-17H2,1-6H3/t19-,21+,22-,23+,24+,27-,28-/m1/s1
InChIKey XQROGHTTYOTNAY-DQQDKUJHSA-N
Mol Weight 429.7 g/mol
Molecular Formula C28H47NO2
Exact Mass 429.36068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ufnKeUoiKS
Name 4-Hydroxy-6-methyl-4-aza-A-homo-5-cholesten-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H47NO2
InChI InChI=1S/C28H47NO2/c1-18(2)8-7-9-19(3)22-10-11-23-21-16-20(4)25-17-29(31)26(30)13-15-28(25,6)24(21)12-14-27(22,23)5/h18-19,21-24,31H,7-17H2,1-6H3/t19-,21+,22-,23+,24+,27-,28-/m1/s1
InChIKey XQROGHTTYOTNAY-DQQDKUJHSA-N
Molecular Weight 429.689 g/mol
SMILES ON1CC=2[C@@]([C@]3(CC[C@]4([C@]([C@@]3(CC2C)[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])(CCC1=O)C
SPLASH splash10-0560-6402900000-46eab21dcddce5654215
Source of Spectrum AJ-56-3351-9
Synonyms (5aR,5bS,7aR,8R,10aS,10bS)-8-[(1R)-1,5-dimethylhexyl]-2-hydroxy-5a,7a,12-trimethyl-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
Wiley ID 1381260