| SpectraBase Compound ID | 37BckMMfAvG |
|---|---|
| InChI | InChI=1S/C27H45NO2/c1-16-5-8-24(28-15-16)17(2)20-6-7-21-19-14-25(30)23-13-18(29)9-11-27(23,4)22(19)10-12-26(20,21)3/h16-24,28-29H,5-15H2,1-4H3/t16-,17-,18-,19-,20+,21-,22-,23+,24-,26+,27+/m0/s1 |
| InChIKey | UUCQCKZTFQEWEI-YRCONGRDSA-N |
| Mol Weight | 415.7 g/mol |
| Molecular Formula | C27H45NO2 |
| Exact Mass | 415.34503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LdntmVBUyRD |
|---|---|
| Name | N-DEMETHYLPUQUIETINONE;(22-R,25-S)-22,26-EPIMINOCHOLEST-3-BETA-OL-6-ONE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H45NO2 |
| InChI | InChI=1S/C27H45NO2/c1-16-5-8-24(28-15-16)17(2)20-6-7-21-19-14-25(30)23-13-18(29)9-11-27(23,4)22(19)10-12-26(20,21)3/h16-24,28-29H,5-15H2,1-4H3/t16-,17-,18-,19-,20+,21-,22-,23+,24-,26+,27+/m0/s1 |
| InChIKey | UUCQCKZTFQEWEI-YRCONGRDSA-N |
| Literature Reference Author | Y.JIANG,H.LI,P.LI,Z.CAI,W.YE |
| Literature Reference Citation | J.NAT.PROD.,68,264(2005) |
| Literature Reference DOI | 10.1021/np0497649 |
| Molecular Weight | 415.660 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ8849 |