| SpectraBase Compound ID | DfzItwgoEkI |
|---|---|
| InChI | InChI=1S/C27H42O3/c1-16(15-28)5-8-23-17(2)25-24(30-23)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h13,16-17,20-25,28H,5-12,14-15H2,1-4H3/t16?,17-,20-,21?,22?,23?,24?,25?,26?,27?/m1/s1 |
| InChIKey | QXDXPKGSBUQHBT-QIEVYLFDSA-N |
| Mol Weight | 414.6 g/mol |
| Molecular Formula | C27H42O3 |
| Exact Mass | 414.313395 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fe4RM4iqVEo |
|---|---|
| Name | 16,22-OXIDO-26-HYDROXYCHOLEST-4-EN-3-ONE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H42O3 |
| InChI | InChI=1S/C27H42O3/c1-16(15-28)5-8-23-17(2)25-24(30-23)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h13,16-17,20-25,28H,5-12,14-15H2,1-4H3/t16?,17-,20-,21?,22?,23?,24?,25?,26?,27?/m1/s1 |
| InChIKey | QXDXPKGSBUQHBT-QIEVYLFDSA-N |
| Literature Reference Author | S.S.LEE,J.L.YAN,G.Y.LIN,K.C.WANG |
| Literature Reference Citation | J.NAT.PROD.,61,275(1998) |
| Literature Reference DOI | 10.1021/np970392w |
| Molecular Weight | 414.629 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP339 |