| SpectraBase Spectrum ID |
2VLDPy8ksj5 |
| Name |
Pregn-4-en-20-carboxylic acid, 3,12-dioxo-, methyl ester, (20S)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
372.230059506 u |
| Formula |
C23H32O4 |
| InChI |
InChI=1S/C23H32O4/c1-13(21(26)27-4)17-7-8-18-16-6-5-14-11-15(24)9-10-22(14,2)19(16)12-20(25)23(17,18)3/h11,13,16-19H,5-10,12H2,1-4H3 |
| InChIKey |
OWBDBWYBXIBHPD-UHFFFAOYSA-N |
| Molecular Weight |
372.505 g/mol |
| SMILES |
C[C@]12[C@]([C@]3([C@](CC2=O)([C@]2(C)C(CC3)=CC(CC2)=O)[H])[H])(CC[C@@]1([C@@](C(OC)=O)(C)[H])[H])[H] |
