| SpectraBase Spectrum ID |
Czi6mSawEcN |
| Name |
Coprostan-3.alpha.,26-diol 3-o-acetyl-26-o-tosyl- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
572.353545943 u |
| Formula |
C34H52O5S |
| InChI |
InChI=1S/C34H52O5S/c1-22-7-12-28(13-8-22)40(36,37)39-24(3)10-9-23(2)30-15-16-31-29-14-11-26-21-27(38-25(4)35)17-19-33(26,5)32(29)18-20-34(30,31)6/h7-8,12-13,23-24,26-27,29-32H,9-11,14-21H2,1-6H3 |
| InChIKey |
RFYQTEWZQLAGPT-UHFFFAOYSA-N |
| Molecular Weight |
572.845 g/mol |
| SMILES |
C1C2C(CCC3C2CCC2C3(C)CCC(C2)OC(C)=O)(C)C(C1)C(CCC(OS(=O)(=O)C1=CC=C(C=C1)C)C)C |
