| SpectraBase Compound ID | 8ZBoIeSUT0S |
|---|---|
| InChI | InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h15-22,24,28H,5-14H2,1-4H3/t15-,16-,17-,18-,19+,20-,21-,22-,24-,25-,26+,27+/m0/s1 |
| InChIKey | QOLRLLFJMZLYQJ-KYRQEAISSA-N |
| Mol Weight | 430.6 g/mol |
| Molecular Formula | C27H42O4 |
| Exact Mass | 430.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4tgYWNWwzTq |
|---|---|
| Name | HECOGENIN=(25R)-3-BETA-HYDROXY-5-ALPHA-SPIROSTAN-12-ON |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H42O4 |
| InChI | InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h15-22,24,28H,5-14H2,1-4H3/t15-,16-,17-,18-,19+,20-,21-,22-,24-,25-,26+,27+/m0/s1 |
| InChIKey | QOLRLLFJMZLYQJ-KYRQEAISSA-N |
| Literature Reference Author | J.A.JAFFER,G.BLUNDEN,T.A.CRABB |
| Literature Reference Citation | PHYTOCHEM.,22,304(1983) |
| Literature Reference DOI | 10.1016/S0031-9422(00)80115-6 |
| Molecular Weight | 430.628 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW17058 |