| SpectraBase Compound ID | JItxzi4aBJ5 |
|---|---|
| InChI | InChI=1S/C27H40O5/c1-18(9-10-23-22(16-28)15-25(30)32-23)11-14-27(17-31-21(4)29)20(3)12-13-26(5)19(2)7-6-8-24(26)27/h9,15,20,23-24,28H,2,6-8,10-14,16-17H2,1,3-5H3/b18-9+/t20-,23-,24+,26+,27-/m0/s1 |
| InChIKey | QNRWFUMAJPIGRH-JQFPEXDESA-N |
| Mol Weight | 444.6 g/mol |
| Molecular Formula | C27H40O5 |
| Exact Mass | 444.287574 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4GiS38c8tIr |
|---|---|
| Name | THORECTANDROL-B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H40O5 |
| InChI | InChI=1S/C27H40O5/c1-18(9-10-23-22(16-28)15-25(30)32-23)11-14-27(17-31-21(4)29)20(3)12-13-26(5)19(2)7-6-8-24(26)27/h9,15,20,23-24,28H,2,6-8,10-14,16-17H2,1,3-5H3/b18-9+/t20-,23-,24+,26+,27-/m0/s1 |
| InChIKey | QNRWFUMAJPIGRH-JQFPEXDESA-N |
| Literature Reference Author | R.D.CHARAN,T.C.MCKEE,M.R.BOYD |
| Literature Reference Citation | J.NAT.PROD.,64,661(2001) |
| Literature Reference DOI | 10.1021/np000544e |
| Molecular Weight | 444.612 g/mol |
| Solvent | CD3OD |