| SpectraBase Compound ID | C86qJ93fCXs |
|---|---|
| InChI | InChI=1S/C21H32O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h7,13-16,18-19,23-24H,4-6,8-11H2,1-3H3 |
| InChIKey | KFNFTGFTYYZZRD-UHFFFAOYSA-N |
| Mol Weight | 332.5 g/mol |
| Molecular Formula | C21H32O3 |
| Exact Mass | 332.235145 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Fw6FFK95cJ3 |
|---|---|
| Name | Pregn-9(11)-en-20-one, 3,6-dihydroxy-, (3.beta.,5.alpha.,6.alpha.)- |
| CAS Registry Number | 37717-02-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H32O3 |
| InChI | InChI=1S/C21H32O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h7,13-16,18-19,23-24H,4-6,8-11H2,1-3H3 |
| InChIKey | KFNFTGFTYYZZRD-UHFFFAOYSA-N |
| Molecular Weight | 332.484 g/mol |
| SMILES | OC1CC2C3C(CC=C2C2(C1CC(CC2)O)C)(C(CC3)C(C)=O)C |
| SPLASH | splash10-0537-8950000000-b34287aa21879a1b4728 |
| Source of Spectrum | EP-6341-0-0 |
| Synonyms | 3,6-Dihydroxypregn-9(11)-en-20-one 1-(3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone Pregn-9(11)-en-20-one, 3,6-dihydroxy-, (3.beta.,5.alpha.,6.alpha.,17.alpha.)- 1-[10,13-dimethyl-3,6-bis(oxidanyl)-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone Asterone Asterosapogenin I |
| Wiley ID | 1329753 |