| SpectraBase Spectrum ID |
wO1rBJfl5a |
| Name |
3Alpha-hydroxy-5beta-pregnan-21-oic acid, methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
348.266445016 u |
| Formula |
C22H36O3 |
| InChI |
InChI=1S/C22H36O3/c1-21-10-8-16(23)12-14(21)4-6-17-18-7-5-15(13-20(24)25-3)22(18,2)11-9-19(17)21/h14-19,23H,4-13H2,1-3H3/t14-,15-,16-,17+,18+,19+,21+,22-/m1/s1 |
| InChIKey |
UCSNJCLUEXCBAM-IWJYHGGESA-N |
| Molecular Weight |
348.527 g/mol |
| SMILES |
O[C@@]1(CC[C@]2([C@@](C1)(CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2(CC(=O)OC)[H])[H])C)[H])[H])[H])C)[H] |
