| SpectraBase Compound ID | 2neUGIhTOvC |
|---|---|
| InChI | InChI=1S/C32H52O3/c1-20(33)35-25-12-13-30(7)24-11-10-21-22-18-27(2,3)14-15-29(22,6)16-17-31(21,8)32(24,9)19-23(34)26(30)28(25,4)5/h10,22-26,34H,11-19H2,1-9H3/t22?,23-,24?,25+,26?,29-,30-,31-,32-/m1/s1 |
| InChIKey | KHNOTTSLMUNERG-COURQXFGSA-N |
| Mol Weight | 484.8 g/mol |
| Molecular Formula | C32H52O3 |
| Exact Mass | 484.391646 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2OMmhCTUcaE |
|---|---|
| Name | 3-O-ACETYLDATURADIOL |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H52O3 |
| InChI | InChI=1S/C32H52O3/c1-20(33)35-25-12-13-30(7)24-11-10-21-22-18-27(2,3)14-15-29(22,6)16-17-31(21,8)32(24,9)19-23(34)26(30)28(25,4)5/h10,22-26,34H,11-19H2,1-9H3/t22?,23-,24?,25+,26?,29-,30-,31-,32-/m1/s1 |
| InChIKey | KHNOTTSLMUNERG-COURQXFGSA-N |
| Literature Reference Author | N.C.KIM,A.E.DESJARDINS,C.D.WU,A.D.KINGHORN |
| Literature Reference Citation | J.NAT.PROD.,62,1379(1999) |
| Literature Reference DOI | 10.1021/np9901579 |
| Molecular Weight | 484.763 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS20819 |