| SpectraBase Compound ID | CbNe4laVOO9 |
|---|---|
| InChI | InChI=1S/C25H32O6/c1-13(26)18-8-9-19-17-7-6-16-10-21(30-14(2)27)22(31-15(3)28)12-24(16,4)20(17)11-23(29)25(18,19)5/h7-8,10,19-23,29H,6,9,11-12H2,1-5H3/t19-,20-,21?,22?,23+,24-,25-/m0/s1 |
| InChIKey | XDDUMFWNPMIXFT-CUYKBVAXSA-N |
| Mol Weight | 428.5 g/mol |
| Molecular Formula | C25H32O6 |
| Exact Mass | 428.219889 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GJQsphOnmdC |
|---|---|
| Name | 2.alpha.,3.beta.-Diacetoxy-12.beta.-hydroxy-pregna-4,7,16-trien-20-one |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C25H32O6 |
| InChI | InChI=1S/C25H32O6/c1-13(26)18-8-9-19-17-7-6-16-10-21(30-14(2)27)22(31-15(3)28)12-24(16,4)20(17)11-23(29)25(18,19)5/h7-8,10,19-23,29H,6,9,11-12H2,1-5H3/t19-,20-,21?,22?,23+,24-,25-/m0/s1 |
| InChIKey | XDDUMFWNPMIXFT-CUYKBVAXSA-N |
| Instrument Name | SF = 360 MHz |
| Literature Reference | J. Nat. Products 50, 63 (1987). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |