| SpectraBase Spectrum ID |
ACbAkZYcJsR |
| Name |
6-Aza-B-homocholestan-7-one, 3-(acetyloxy)-, (3.beta.,5.beta.)- |
| Alternate Name(s) |
Benz[b]indeno[5,4-d]azepine, 6-aza-B-homocholestan-7-one deriv.
(1R,3aS,3bS,8S,10aR,12aR)-1-[(1R)-1,5-dimethylhexyl]-10a,12a-dimethyl-5-oxooctadecahydroindeno[4,5-d][1]benzazepin-8-yl acetate
3.beta.-acetoxy-6-aza-b-homo-5.beta.-cholestan-7-one |
| CAS Registry Number |
116819-87-5 |
| Comments |
Less than 3 mono-isotopic peaks |
| 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)23-10-11-24-22-17-27(32)30-26-16-21(33-20(4)31)12-14-29(26,6)25(22)13-15-28(23,24)5/h18-19,21-26H,7-17H2,1-6H3,(H,30,32)/t19-,21+,22+,23-,24+,25?,26?,28-,29-/m1/s1 |
| InChIKey |
GUNKZHRRWQGYRM-QACRCIEGSA-N |
| Molecular Weight |
459.715 g/mol |
| SMILES |
N1C2[C@@](C3CC[C@]4([C@]([C@@]3(CC1=O)[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)(CC[C@@](C2)(OC(=O)C)[H])C |
| SPLASH |
splash10-0002-0009200000-1dc5c957a6db62526da9 |
| Source of Spectrum |
I-66-225-46 |
| Wiley ID |
1390287 |
