| SpectraBase Compound ID | 2ksyv7rKjM0 |
|---|---|
| InChI | InChI=1S/C29H46O3/c1-18(2)8-7-9-19(3)23-10-11-24-22-17-27(31)26-16-21(32-20(4)30)12-14-29(26,6)25(22)13-15-28(23,24)5/h16,18-19,21-25H,7-15,17H2,1-6H3/t19-,21+,22+,23-,24+,25+,28?,29?/m1/s1 |
| InChIKey | HTZDJVPKUOXQMG-SALTWLBISA-N |
| Mol Weight | 442.7 g/mol |
| Molecular Formula | C29H46O3 |
| Exact Mass | 442.344695 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | CZSSqdnEcxG |
|---|---|
| Name | 3-BETA-ACETOXY-CHOLEST-4-EN-6-ONE |
| Compound Number | 6A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H46O3 |
| InChI | InChI=1S/C29H46O3/c1-18(2)8-7-9-19(3)23-10-11-24-22-17-27(31)26-16-21(32-20(4)30)12-14-29(26,6)25(22)13-15-28(23,24)5/h16,18-19,21-25H,7-15,17H2,1-6H3/t19-,21+,22+,23-,24+,25+,28?,29?/m1/s1 |
| InChIKey | HTZDJVPKUOXQMG-SALTWLBISA-N |
| Literature Reference Author | N.DEIVE,J.RODRIGUEZ,C.JIMENEZ |
| Literature Reference Citation | J.MED.CHEM.,44,2612(2001) |
| Literature Reference DOI | 10.1021/jm010867n |
| Molecular Weight | 442.682 g/mol |
| Sample ID | 44664 |
| Solvent | CDCl3 |