| SpectraBase Compound ID | GkVPKVEwHf |
|---|---|
| InChI | InChI=1S/C22H30O6/c1-19(2)26-17-10-15-14-6-5-12-9-13(23)7-8-20(12,3)18(14)16(24)11-21(15,4)22(17,27-19)28-25/h7-9,14-18,24-25H,5-6,10-11H2,1-4H3/t14-,15-,16-,17+,18+,20-,21-,22-/m0/s1 |
| InChIKey | QPGIJGRYRZNVOO-ZWTXCLGESA-N |
| Mol Weight | 390.48 g/mol |
| Molecular Formula | C22H30O6 |
| Exact Mass | 390.204239 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4JOpja2hJRw |
|---|---|
| Name | 17-BETA-HYDROPEROXY-11-BETA-HYDROXY-16-ALPHA,17-ALPHA-(1-METHYLETHYLIDENEDIOXY)-ANDROSTA-1,4-DIENE-3-ONE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H30O6 |
| InChI | InChI=1S/C22H30O6/c1-19(2)26-17-10-15-14-6-5-12-9-13(23)7-8-20(12,3)18(14)16(24)11-21(15,4)22(17,27-19)28-25/h7-9,14-18,24-25H,5-6,10-11H2,1-4H3/t14-,15-,16-,17+,18+,20-,21-,22-/m0/s1 |
| InChIKey | QPGIJGRYRZNVOO-ZWTXCLGESA-N |
| Literature Reference Author | J.IQBAL,A.HUSAIN,A.GUPTA |
| Literature Reference Citation | CHEM.PHARM.BULL.,54,836(2006) |
| Literature Reference DOI | 10.1248/cpb.54.836 |
| Molecular Weight | 390.477 g/mol |
| Sample ID | 54867 |
| Solvent | DMSO-D6 |