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7a-Aza-B-homocholestan-7-one, 3-(acetyloxy)-, (3.beta.,5.alpha.)-
SpectraBase Compound ID 5vNkjPgSIOA
InChI InChI=1S/C29H49NO3/c1-18(2)8-7-9-19(3)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(33-20(4)31)16-21(28)17-26(32)30-27/h18-19,21-25,27H,7-17H2,1-6H3,(H,30,32)/t19-,21?,22+,23-,24+,25?,27+,28+,29-/m1/s1
InChIKey HCAMWUKWPJQRBU-BPDAWGINSA-N
Mol Weight 459.7 g/mol
Molecular Formula C29H49NO3
Exact Mass 459.371244 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9VuoDboVVEd
Name 7a-Aza-B-homocholestan-7-one, 3-(acetyloxy)-, (3.beta.,5.alpha.)-
CAS Registry Number 21843-22-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H49NO3
InChI InChI=1S/C29H49NO3/c1-18(2)8-7-9-19(3)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(33-20(4)31)16-21(28)17-26(32)30-27/h18-19,21-25,27H,7-17H2,1-6H3,(H,30,32)/t19-,21?,22+,23-,24+,25?,27+,28+,29-/m1/s1
InChIKey HCAMWUKWPJQRBU-BPDAWGINSA-N
Molecular Weight 459.715 g/mol
SMILES N1C(CC2[C@@](C3CC[C@]4([C@]([C@]13[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)(CC[C@@](C2)(OC(=O)C)[H])C)=O
SPLASH splash10-0kmm-4453900000-363d354c82cd7b42eabb
Source of Spectrum OS-6-436-0
Synonyms (1R,3aR,3bR,8S,10aS,12aR)-1-[(1R)-1,5-dimethylhexyl]-10a,12a-dimethyl-5-oxooctadecahydroindeno[5,4-a][3]benzazepin-8-yl acetate 3.beta.-acetoxy-7a-aza-b-homo-5.alpha.-cholestan-7-one Benz[d]indeno[4,5-b]azepin-5(1H)-one, 1.beta.-(1,5-dimethylhexyl)-2,3,3a.alpha.,3b.beta.,4,6,6a.alpha.,7,8,9,10,10a,10b.alpha.,11,12,12a-hexadecahydro-8.beta.-hydroxy-10a.beta.,12a.beta.-dimethyl-, acetate (ester)
Wiley ID 1390282