| SpectraBase Compound ID | 1mB8djwj6Mw |
|---|---|
| InChI | InChI=1S/C27H40O4/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/h15-17,19-22,24H,5-14H2,1-4H3/t15-,16+,17+,19-,20+,21+,22+,24+,25+,26-,27+/m1/s1 |
| InChIKey | GQJDMLOYAFRRDZ-TVTOVBBZSA-N |
| Mol Weight | 428.6 g/mol |
| Molecular Formula | C27H40O4 |
| Exact Mass | 428.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K9NGdpYinzg |
|---|---|
| Name | HECOGENONE;(25R)-5-ALPHA-SPIROSTAN-3,12-DIONE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H40O4 |
| InChI | InChI=1S/C27H40O4/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/h15-17,19-22,24H,5-14H2,1-4H3/t15-,16+,17+,19-,20+,21+,22+,24+,25+,26-,27+/m1/s1 |
| InChIKey | GQJDMLOYAFRRDZ-TVTOVBBZSA-N |
| Literature Reference Author | A.V.PATEL,G.BLUNDEN,T.A.CRABB |
| Literature Reference Citation | PHYTOCHEM.,35,125(1994) |
| Literature Reference DOI | 10.1016/s0031-9422(00)90520-x |
| Molecular Weight | 428.612 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU24095 |