| SpectraBase Compound ID | 3wEkm7X4MON |
|---|---|
| InChI | InChI=1S/C29H48O3/c1-7-19(17(2)3)9-8-18(4)22-10-11-23-27-24(12-13-28(22,23)5)29(6)20(15-25(27)31)14-21(30)16-26(29)32/h15,17-19,21-25,27,30-31H,7-14,16H2,1-6H3/t18?,19?,21-,22?,23?,24?,25-,27?,28-,29+/m1/s1 |
| InChIKey | RUXQTPOFIWOKQP-OJRIZZSDSA-N |
| Mol Weight | 444.7 g/mol |
| Molecular Formula | C29H48O3 |
| Exact Mass | 444.360345 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 | IXf2MTYVjtA |
|---|---|
| Name | 1-OXO-7-ALPHA-HYDROXYSITOSTEROL;24-ETHYLCHOLEST-5-ENE-3-BETA,7-ALPHA-DIOL-1-ONE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H48O3 |
| InChI | InChI=1S/C29H48O3/c1-7-19(17(2)3)9-8-18(4)22-10-11-23-27-24(12-13-28(22,23)5)29(6)20(15-25(27)31)14-21(30)16-26(29)32/h15,17-19,21-25,27,30-31H,7-14,16H2,1-6H3/t18?,19?,21-,22?,23?,24?,25-,27?,28-,29+/m1/s1 |
| InChIKey | RUXQTPOFIWOKQP-OJRIZZSDSA-N |
| Literature Reference Author | G.TOPCU,N.TAN,G.KOEKDIL,A.ULUBELEN |
| Literature Reference Citation | PHYTOCHEM.,45,1293(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00042-3 |
| Molecular Weight | 444.698 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSP564 |