| SpectraBase Compound ID | IwaHDFWfT54 |
|---|---|
| InChI | InChI=1S/C27H44O3/c1-16(23-12-13-25(2,3)30-23)18-8-9-19-17-6-7-21-24(29)22(28)11-15-27(21,5)20(17)10-14-26(18,19)4/h6,16,18-24,28-29H,7-15H2,1-5H3/t16-,18+,19-,20-,21-,22-,23+,24+,26+,27+/m0/s1 |
| InChIKey | LEHROQSPPGZPJK-YYYYOOOKSA-N |
| Mol Weight | 416.6 g/mol |
| Molecular Formula | C27H44O3 |
| Exact Mass | 416.329045 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9vqbFz7r4HS |
|---|---|
| Name | (22R,25)-EPOXYCHOLEST-7-ENE-3-BETA,4-BETA-DIOL |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H44O3 |
| InChI | InChI=1S/C27H44O3/c1-16(23-12-13-25(2,3)30-23)18-8-9-19-17-6-7-21-24(29)22(28)11-15-27(21,5)20(17)10-14-26(18,19)4/h6,16,18-24,28-29H,7-15H2,1-5H3/t16-,18+,19-,20-,21-,22-,23+,24+,26+,27+/m0/s1 |
| InChIKey | LEHROQSPPGZPJK-YYYYOOOKSA-N |
| Literature Reference Author | S.WEBER,J.PURIPATTANAVONG,V.BRECHT,A.W.FRAHM |
| Literature Reference Citation | J.NAT.PROD.,63,636(2000) |
| Literature Reference DOI | 10.1021/np9905923 |
| Molecular Weight | 416.645 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS25109 |