| SpectraBase Compound ID | IfoFgzIAHJy |
|---|---|
| InChI | InChI=1S/C27H40O5/c1-17(10-11-22(29)21-14-25(30)31-16-21)12-13-26(5)19(3)23(32-20(4)28)15-27(6)18(2)8-7-9-24(26)27/h10,14,19,22-24,29H,2,7-9,11-13,15-16H2,1,3-6H3/b17-10+/t19-,22-,23+,24-,26+,27+/m0/s1 |
| InChIKey | DHZHHHTYJVQJEJ-XCPANETMSA-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 | GIZqEzFpwu2 |
|---|---|
| Name | THORECTANDROL-C |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H40O5 |
| InChI | InChI=1S/C27H40O5/c1-17(10-11-22(29)21-14-25(30)31-16-21)12-13-26(5)19(3)23(32-20(4)28)15-27(6)18(2)8-7-9-24(26)27/h10,14,19,22-24,29H,2,7-9,11-13,15-16H2,1,3-6H3/b17-10+/t19-,22-,23+,24-,26+,27+/m0/s1 |
| InChIKey | DHZHHHTYJVQJEJ-XCPANETMSA-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 | 444.612 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI5562 |