| SpectraBase Compound ID | 7HTZC8gquO2 |
|---|---|
| InChI | InChI=1S/C32H52O5/c1-9-36-27-19(18-23(37-27)26(34)29(4,5)35)20-12-16-32(8)22-10-11-24-28(2,3)25(33)14-15-30(24,6)21(22)13-17-31(20,32)7/h10,19-21,23-24,26-27,34-35H,9,11-18H2,1-8H3/t19-,20+,21+,23+,24+,26+,27+,30-,31+,32-/m1/s1 |
| InChIKey | IMIFPTNQMZAQRL-MUZFRHRFSA-N |
| Mol Weight | 516.8 g/mol |
| Molecular Formula | C32H52O5 |
| Exact Mass | 516.381475 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F2LZQAWcSCm |
|---|---|
| Name | (21-R,23-R)-EPOXY-21-ALPHA-ETHOXY-24-S,25-DIHYDROXYAPOTIRUCALLA-7-EN-3-ONE |
| Compound Number | 4A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H52O5 |
| InChI | InChI=1S/C32H52O5/c1-9-36-27-19(18-23(37-27)26(34)29(4,5)35)20-12-16-32(8)22-10-11-24-28(2,3)25(33)14-15-30(24,6)21(22)13-17-31(20,32)7/h10,19-21,23-24,26-27,34-35H,9,11-18H2,1-8H3/t19-,20+,21+,23+,24+,26+,27+,30-,31+,32-/m1/s1 |
| InChIKey | IMIFPTNQMZAQRL-MUZFRHRFSA-N |
| Literature Reference Author | H.D.CHEN,S.P.YANG,Y.WU,L.DONG,J.M.YUE |
| Literature Reference Citation | J.NAT.PROD.,72,685(2009) |
| Literature Reference DOI | 10.1021/np800811b |
| Molecular Weight | 516.762 g/mol |
| Sample ID | 32439 |
| Solvent | CDCl3 |