| SpectraBase Compound ID | 2usvoUy2U1N |
|---|---|
| InChI | InChI=1S/C25H38O4/c1-16(9-10-20(26)19-13-23(28)29-15-19)11-12-24(4)18(3)21(27)14-25(5)17(2)7-6-8-22(24)25/h9,13,18,20-22,26-27H,2,6-8,10-12,14-15H2,1,3-5H3/b16-9+/t18-,20-,21+,22-,24+,25+/m0/s1 |
| InChIKey | YPTKOYKREVMBEA-RRKHDEDVSA-N |
| Mol Weight | 402.6 g/mol |
| Molecular Formula | C25H38O4 |
| Exact Mass | 402.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GRtmshhRX98 |
|---|---|
| Name | THORECTANDROL-E |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H38O4 |
| InChI | InChI=1S/C25H38O4/c1-16(9-10-20(26)19-13-23(28)29-15-19)11-12-24(4)18(3)21(27)14-25(5)17(2)7-6-8-22(24)25/h9,13,18,20-22,26-27H,2,6-8,10-12,14-15H2,1,3-5H3/b16-9+/t18-,20-,21+,22-,24+,25+/m0/s1 |
| InChIKey | YPTKOYKREVMBEA-RRKHDEDVSA-N |
| Literature Reference Author | R.D.CHARAN,T.C.MCKEE,M.R.BOYD |
| Literature Reference Citation | J.NAT.PROD.,65,492(2002) |
| Literature Reference DOI | 10.1021/np010439k |
| Molecular Weight | 402.574 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI5564 |