| SpectraBase Spectrum ID |
BMi7lx59gr0 |
| Name |
5Beta-pregnane-3alpha,21-diol, diacetate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
404.292659764 u |
| Formula |
C25H40O4 |
| InChI |
InChI=1S/C25H40O4/c1-16(26)28-14-11-18-6-8-22-21-7-5-19-15-20(29-17(2)27)9-12-25(19,4)23(21)10-13-24(18,22)3/h18-23H,5-15H2,1-4H3/t18-,19-,20-,21+,22+,23+,24-,25+/m1/s1 |
| InChIKey |
KZDWVXISDXEHDL-KWHGMJGBSA-N |
| Molecular Weight |
404.591 g/mol |
| SMILES |
CC(O[C@]1(C[C@@]2([C@](CC1)([C@@]1([C@@](CC2)([C@]2([C@](CC1)([C@](CC2)(CCOC(=O)C)[H])C)[H])[H])[H])C)[H])[H])=O |
