| SpectraBase Compound ID | 5cBbwiLQ6Cm |
|---|---|
| InChI | InChI=1S/C28H46O2/c1-18(2)8-7-9-19(3)22-10-11-24-21-16-28(17-29)23(20(4)30)13-15-27(28,6)25(21)12-14-26(22,24)5/h17-19,21-25H,7-16H2,1-6H3/t19-,21+,22-,23-,24+,25+,26-,27-,28+/m1/s1 |
| InChIKey | UACFIYKLGKCPSI-BAWCRYNZSA-N |
| Mol Weight | 414.7 g/mol |
| Molecular Formula | C28H46O2 |
| Exact Mass | 414.349781 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Do17CoXsXqE |
|---|---|
| Name | 3-BETA-ACETYL-A,B-BISNOR-5-BETA-CHOLESTANE-5-CARBALDEHYDE |
| Compound Number | 38 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H46O2 |
| InChI | InChI=1S/C28H46O2/c1-18(2)8-7-9-19(3)22-10-11-24-21-16-28(17-29)23(20(4)30)13-15-27(28,6)25(21)12-14-26(22,24)5/h17-19,21-25H,7-16H2,1-6H3/t19-,21+,22-,23-,24+,25+,26-,27-,28+/m1/s1 |
| InChIKey | UACFIYKLGKCPSI-BAWCRYNZSA-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 | 414.672 g/mol |
| Sample ID | 39169 |
| Solvent | CDCl3 |