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3-Aza-A-homocholestan-4-one, 2,4a,4a-trimethyl-, (2.alpha.,5.alpha.)-
SpectraBase Compound ID 3sxi7Ct2Q5Q
InChI InChI=1S/C30H53NO/c1-19(2)10-9-11-20(3)23-13-14-24-22-12-15-26-28(5,6)27(32)31-21(4)18-30(26,8)25(22)16-17-29(23,24)7/h19-26H,9-18H2,1-8H3,(H,31,32)/t20-,21-,22+,23-,24+,25+,26+,29-,30-/m1/s1
InChIKey OAYONNKWJZTBPZ-VQUAUUJOSA-N
Mol Weight 443.8 g/mol
Molecular Formula C30H53NO
Exact Mass 443.412715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5sdmqIVsBvr
Name 3-Aza-A-homocholestan-4-one, 2,4a,4a-trimethyl-, (2.alpha.,5.alpha.)-
CAS Registry Number 73305-69-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H53NO
InChI InChI=1S/C30H53NO/c1-19(2)10-9-11-20(3)23-13-14-24-22-12-15-26-28(5,6)27(32)31-21(4)18-30(26,8)25(22)16-17-29(23,24)7/h19-26H,9-18H2,1-8H3,(H,31,32)/t20-,21-,22+,23-,24+,25+,26+,29-,30-/m1/s1
InChIKey OAYONNKWJZTBPZ-VQUAUUJOSA-N
Molecular Weight 443.760 g/mol
SMILES N1C(C([C@]2([C@](C[C@]1(C)[H])([C@]1(CC[C@@]3([C@](CC[C@]3([C@@]1(CC2)[H])[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])C)[H])(C)C)=O
SPLASH splash10-052f-9000400000-e48bc9596276fbdd7efb
Source of Spectrum KC-1979-2925-0
Synonyms Cyclopenta[5,6]naphth[1,2-d]azepine, 3-aza-A-homocholestan-4-one deriv. (4R,5aR,5bS,7aR,8R,10aS,10bS,12aR)-8-[(1R)-1,5-dimethylhexyl]-1,1,4,5a,7a-pentamethylhexadecahydrocyclopenta[5,6]naphtho[1,2-d]azepin-2(1H)-one 2.alpha.,4a,4a-trimethyl-3-aza-a-homo-5.alpha.-cholestan-4-one
Wiley ID 1385801