| SpectraBase Spectrum ID |
9w9vLy4N7Ox |
| Name |
20Alpha-hydroxy-3-oxopregn-4-en-21-oic acid, methyl ester, acetate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
402.240624190 u |
| Formula |
C24H34O5 |
| InChI |
InChI=1S/C24H34O5/c1-14(25)29-21(22(27)28-4)20-8-7-18-17-6-5-15-13-16(26)9-11-23(15,2)19(17)10-12-24(18,20)3/h13,17-21H,5-12H2,1-4H3/t17-,18-,19-,20+,21+,23-,24-/m0/s1 |
| InChIKey |
OJGZUIJUMKZIGJ-CJUIHMTJSA-N |
| Molecular Weight |
402.531 g/mol |
| SMILES |
COC([C@@]([C@]1(CC[C@@]2([C@@]1(CC[C@]1([C@]2(CCC=2[C@@]1(CCC(C2)=O)C)[H])[H])C)[H])[H])(OC(=O)C)[H])=O |
