| SpectraBase Compound ID | 2ElSO352frm |
|---|---|
| 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-PUEVIBJHSA-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 | KYAVD0FL3pJ |
|---|---|
| Name | 2-ALPHA,3-BETA-DIACETOXY-12-BETA-HYDROXY-PREGNA-4,7,16-TRIEN-20-ONE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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-PUEVIBJHSA-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 | 428.525 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBK295 |