| SpectraBase Compound ID | GMBLKpM8V8Y |
|---|---|
| InChI | InChI=1S/C28H48O/c1-7-28-17-22-24-12-11-23(20(4)10-8-9-19(2)3)26(24,5)15-14-25(22)27(28,6)16-13-21(28)18-29/h7,19-25,29H,1,8-18H2,2-6H3/t20-,21-,22+,23-,24+,25+,26-,27-,28-/m1/s1 |
| InChIKey | AGHXFDYKFFXPCR-RNLUFOAASA-N |
| Mol Weight | 400.7 g/mol |
| Molecular Formula | C28H48O |
| Exact Mass | 400.370516 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GnVRflECiMA |
|---|---|
| Name | 3-BETA-(HYDROXYMETHYL)-5-VINYL-A,B-BISNOR-5-BETA-CHOLESTANE |
| Compound Number | 34 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H48O |
| InChI | InChI=1S/C28H48O/c1-7-28-17-22-24-12-11-23(20(4)10-8-9-19(2)3)26(24,5)15-14-25(22)27(28,6)16-13-21(28)18-29/h7,19-25,29H,1,8-18H2,2-6H3/t20-,21-,22+,23-,24+,25+,26-,27-,28-/m1/s1 |
| InChIKey | AGHXFDYKFFXPCR-RNLUFOAASA-N |
| Literature Reference Author | P.KOCOVSKY,V.DUNN,A.GOGOLL,V.LANGER |
| Literature Reference Citation | J.ORG.CHEM.,64,101(1999) |
| Literature Reference DOI | 10.1021/jo9812882 |
| Molecular Weight | 400.689 g/mol |
| Sample ID | 39165 |
| Solvent | CDCl3 |