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2-Aza-A-homocholestan-1-one, (5.beta.)-
SpectraBase Compound ID 25GWvSnPfMb
InChI InChI=1S/C27H47NO/c1-18(2)8-6-9-19(3)22-13-14-23-21-12-11-20-10-7-17-28-25(29)27(20,5)24(21)15-16-26(22,23)4/h18-24H,6-17H2,1-5H3,(H,28,29)/t19-,20+,21+,22-,23+,24+,26-,27+/m1/s1
InChIKey ZXMLRHDAWNWLOT-XLDSYAJBSA-N
Mol Weight 401.7 g/mol
Molecular Formula C27H47NO
Exact Mass 401.365765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4JcGvyeZ73F
Name 2-Aza-A-homocholestan-1-one, (5.beta.)-
Alternate Name(s) (5aS,5bS,7aR,8R,10aS,10bS,12aR)-8-[(1R)-1,5-dimethylhexyl]-5a,7a-dimethylhexadecahydrocyclopenta[5,6]naphtho[1,2-c]azepin-5(2H)-one 2-Aza-a-homo-5.beta.-cholestan-1-one Cyclopenta[5,6]naphth[1,2-c]azepine, 2-aza-a-homocholestan-1-one deriv.
CAS Registry Number 66175-97-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H47NO
InChI InChI=1S/C27H47NO/c1-18(2)8-6-9-19(3)22-13-14-23-21-12-11-20-10-7-17-28-25(29)27(20,5)24(21)15-16-26(22,23)4/h18-24H,6-17H2,1-5H3,(H,28,29)/t19-,20+,21+,22-,23+,24+,26-,27+/m1/s1
InChIKey ZXMLRHDAWNWLOT-XLDSYAJBSA-N
Molecular Weight 401.679 g/mol
SMILES N1CCC[C@]2(CC[C@]3([C@]4([C@](CC[C@@]3([C@]2(C1=O)C)[H])([C@](CC4)([C@@](CCCC(C)C)(C)[H])[H])C)[H])[H])[H]
SPLASH splash10-0002-9121100000-147dcb96f892399b404d
Source of Spectrum KC-1977-22-2496
Wiley ID 1370089