| SpectraBase Compound ID | Idsy1xaTzdP |
|---|---|
| InChI | InChI=1S/C21H30O4/c1-11(22)14-6-7-15-13-5-4-12-8-17(23)18(24)10-20(12,2)16(13)9-19(25)21(14,15)3/h5,8,14-19,23-25H,4,6-7,9-10H2,1-3H3/t14-,15+,16+,17-,18-,19-,20+,21-/m1/s1 |
| InChIKey | NKARAGRVHGKUSJ-WQLGSRDQSA-N |
| Mol Weight | 346.47 g/mol |
| Molecular Formula | C21H30O4 |
| Exact Mass | 346.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 42p9WYLlOBh |
|---|---|
| Name | 2-ALPHA,3-BETA,12-BETA-TRIHYDROXY-PREGNA-4,7-DIEN-20-ONE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H30O4 |
| InChI | InChI=1S/C21H30O4/c1-11(22)14-6-7-15-13-5-4-12-8-17(23)18(24)10-20(12,2)16(13)9-19(25)21(14,15)3/h5,8,14-19,23-25H,4,6-7,9-10H2,1-3H3/t14-,15+,16+,17-,18-,19-,20+,21-/m1/s1 |
| InChIKey | NKARAGRVHGKUSJ-WQLGSRDQSA-N |
| Literature Reference Author | C.Y.DUH,J.M.PEZZUTO,A.D.KINGHORN,S.L.LEUNG,N.R.FARNSWORTH |
| Literature Reference Citation | J.NAT.PROD.,50,63(1987) |
| Literature Reference DOI | 10.1021/np50049a010 |
| Molecular Weight | 346.467 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBK293 |