| SpectraBase Spectrum ID |
3rrOKosTBs4 |
| Name |
4.beta.-dimethylaminocoprostane |
| Alternate Name(s) |
N-[(4beta)-cholestan-4-yl]-N,N-dimethylamine
N-[(4beta)-cholestan-4-yl]-N-methylmethanamine |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H53N |
| InChI |
InChI=1S/C29H53N/c1-20(2)10-8-11-21(3)23-15-16-24-22-13-14-26-27(30(6)7)12-9-18-28(26,4)25(22)17-19-29(23,24)5/h20-27H,8-19H2,1-7H3/t21-,22+,23-,24+,25+,26?,27+,28-,29-/m1/s1 |
| InChIKey |
XKMMRDYMRVSQFW-QEGAGFFYSA-N |
| Molecular Weight |
415.750 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CCC4[C@@]([C@]3(CC2)[H])(CCC[C@@]4(N(C)C)[H])C)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH |
splash10-00lr-9000200000-9615a056fa96ec9e3c31 |
| Source of Spectrum |
PL-1982-0-0 |
| Wiley ID |
1376129 |
