| SpectraBase Spectrum ID |
7JMAzwZVJ8P |
| Name |
4.alpha.-Methoxycarbonyl-4.beta.-methyl-5.alpha.-pregnan-20-one (13.alpha.) isomer |
| Alternate Name(s) |
Methyl (4alpha,13alpha)-4-methyl-20-oxopregnane-4-carboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H38O3 |
| InChI |
InChI=1S/C24H38O3/c1-15(25)17-8-9-18-16-7-10-20-23(3,19(16)11-14-22(17,18)2)12-6-13-24(20,4)21(26)27-5/h16-20H,6-14H2,1-5H3/t16-,17+,18-,19-,20?,22-,23+,24+/m0/s1 |
| InChIKey |
TXWNWVCHNSGPSU-WROQDMPPSA-N |
| Molecular Weight |
374.565 g/mol |
| SMILES |
[C@]12([C@]([C@@]3(CCC4[C@@]([C@]3(CC2)[H])(CCC[C@]4(C(=O)OC)C)C)[H])(CC[C@@]1(C(=O)C)[H])[H])C |
| SPLASH |
splash10-0006-9001000000-2e53ea82e950cd87ccb5 |
| Source of Spectrum |
I-69-382-11 |
| Wiley ID |
1356948 |
