| SpectraBase Compound ID | 9HNlmGP5ltK |
|---|---|
| InChI | InChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13,15-17,19H,4-11H2,1-3H3 |
| InChIKey | AHRWWYGWQKBKBF-UHFFFAOYSA-N |
| Mol Weight | 330.47 g/mol |
| Molecular Formula | C21H30O3 |
| Exact Mass | 330.219495 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | IIV2r4R28UH |
|---|---|
| Name | Pregnane-3,11,20-trione, (5.beta.)- |
| CAS Registry Number | 2089-06-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H30O3 |
| InChI | InChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13,15-17,19H,4-11H2,1-3H3 |
| InChIKey | AHRWWYGWQKBKBF-UHFFFAOYSA-N |
| Molecular Weight | 330.468 g/mol |
| SMILES | C12(C(C3C(C4(C(CC(=O)CC4)CC3)C)C(C1)=O)CCC2C(=O)C)C |
| SPLASH | splash10-004i-0129000000-683d77c0c00ce18205d6 |
| Source of Spectrum | X4-18-436-0 |
| Synonyms | Pregnane-3,11,20-trione (5beta)-pregnane-3,11,20-trione 17-acetyl-10,13-dimethyl-2,4,5,6,7,8,9,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,11-dione 17-acetyl-10,13-dimethyl-2,4,5,6,7,8,9,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,11-quinone Pregnane-3,11,20-trione, (5.alpha.)- 17-ethanoyl-10,13-dimethyl-2,4,5,6,7,8,9,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,11-dione 5.alpha.-Pregnan-3,11,20-trione 5.alpha.-Pregnane-3,11,20-trione 5.beta.-Pregnane-3,11,20-trione U-1373 |
| Wiley ID | 1585481 |