| SpectraBase Compound ID | 1penIpHA2io |
|---|---|
| InChI | InChI=1S/C27H40O5/c1-14-5-8-27(31-13-14)15(2)24-21(32-27)11-19-23-18(12-22(30)26(19,24)4)25(3)7-6-17(28)9-16(25)10-20(23)29/h14-19,21,23-24,28H,5-13H2,1-4H3/t14-,15+,16-,17+,18+,19+,21+,23-,24+,25+,26-,27+/m1/s1 |
| InChIKey | MLMCPDWOHJAAIE-CBKNDPDYSA-N |
| Mol Weight | 444.6 g/mol |
| Molecular Formula | C27H40O5 |
| Exact Mass | 444.287574 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1j6y65f9K54 |
|---|---|
| Name | (25R)-3-BETA-HYDROXY-5-ALPHA-SPIROSTANE-7,12-DIONE |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H40O5 |
| InChI | InChI=1S/C27H40O5/c1-14-5-8-27(31-13-14)15(2)24-21(32-27)11-19-23-18(12-22(30)26(19,24)4)25(3)7-6-17(28)9-16(25)10-20(23)29/h14-19,21,23-24,28H,5-13H2,1-4H3/t14-,15+,16-,17+,18+,19+,21+,23-,24+,25+,26-,27+/m1/s1 |
| InChIKey | MLMCPDWOHJAAIE-CBKNDPDYSA-N |
| Literature Reference Author | G.BLUNDEN,A.V.PATEL,T.A.CRABB |
| Literature Reference Citation | PHYTOCHEM.,29,1771(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)85013-6 |
| Molecular Weight | 444.612 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU32157 |