| SpectraBase Spectrum ID |
6wUzzdJyASC |
| Name |
N-propyl-3-aza-5.alpha.-cholestane |
| Alternate Name(s) |
(4aR,4bS,6aR,7R,9aS,9bS,11aR)-7-[(1R)-1,5-dimethylhexyl]-4a,6a-dimethyl-2-propylhexadecahydro-1H-indeno[5,4-f]isoquinoline |
| CAS Registry Number |
96034-26-3 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H53N |
| InChI |
InChI=1S/C29H53N/c1-7-18-30-19-17-28(5)23(20-30)11-12-24-26-14-13-25(22(4)10-8-9-21(2)3)29(26,6)16-15-27(24)28/h21-27H,7-20H2,1-6H3/t22-,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey |
LOUVCZXHUCGCLI-YNRKOCOGSA-N |
| Molecular Weight |
415.750 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CCN(CCC)C4)C)[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH |
splash10-000i-0009000000-88f3a54dc6bd780fecbe |
| Source of Spectrum |
J-55-2174-15 |
| Wiley ID |
1376135 |
