| SpectraBase Spectrum ID |
7L2FIsIXFNV |
| Name |
Coprostan-16.beta.-ol 3,5-dinitrobenzoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
582.366887332 u |
| Formula |
C34H50N2O6 |
| InChI |
InChI=1S/C34H50N2O6/c1-21(2)9-8-10-22(3)31-30(42-32(37)23-17-25(35(38)39)19-26(18-23)36(40)41)20-29-27-13-12-24-11-6-7-15-33(24,4)28(27)14-16-34(29,31)5/h17-19,21-22,24,27-31H,6-16,20H2,1-5H3 |
| InChIKey |
YTQCBQQJRYSMFF-UHFFFAOYSA-N |
| Molecular Weight |
582.782 g/mol |
| SMILES |
C1CCC2(C(C1)CCC1C2CCC2(C1CC(C2C(C)CCCC(C)C)OC(C1=CC(=CC(=C1)N(=O)=O)N(=O)=O)=O)C)C |
