| SpectraBase Spectrum ID |
JvzZEuVP5LH |
| Name |
Coprostan-16,22-epoxy-3.alpha.-ol, 26-ureido |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
460.366493411 u |
| Formula |
C28H48N2O3 |
| InChI |
InChI=1S/C28H48N2O3/c1-16(15-30-26(29)32)5-8-23-17(2)25-24(33-23)14-22-20-7-6-18-13-19(31)9-11-27(18,3)21(20)10-12-28(22,25)4/h16-25,31H,5-15H2,1-4H3,(H3,29,30,32) |
| InChIKey |
HZLCFDMTNACFQP-UHFFFAOYSA-N |
| Molecular Weight |
460.703 g/mol |
| SMILES |
C1(CCC2(C(C1)CCC1C2CCC2(C1CC1C2C(C)C(O1)CCC(CNC(N)=O)C)C)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.857706 |
