| SpectraBase Compound ID | 9y7LIvPvu1i |
|---|---|
| InChI | InChI=1S/C28H35ClO12/c1-11-18(29)22-28(12(2)25(34)40-22)24(39-16(6)33)21-26(7,17(36-13(3)30)8-9-27(21)10-35-27)23(38-15(5)32)20(19(11)41-28)37-14(4)31/h12,17-24H,1,8-10H2,2-7H3/t12-,17-,18-,19+,20+,21?,22-,23-,24+,26-,27-,28-/m0/s1 |
| InChIKey | VPXKDKFGKRSWEO-GNHNETCDSA-N |
| Mol Weight | 599.0 g/mol |
| Molecular Formula | C28H35ClO12 |
| Exact Mass | 598.181704 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2xJ3lfz4iNP |
|---|---|
| Name | PRAELOLIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H35ClO12 |
| InChI | InChI=1S/C28H35ClO12/c1-11-18(29)22-28(12(2)25(34)40-22)24(39-16(6)33)21-26(7,17(36-13(3)30)8-9-27(21)10-35-27)23(38-15(5)32)20(19(11)41-28)37-14(4)31/h12,17-24H,1,8-10H2,2-7H3/t12-,17-,18-,19+,20+,21?,22-,23-,24+,26-,27-,28-/m0/s1 |
| InChIKey | VPXKDKFGKRSWEO-GNHNETCDSA-N |
| Literature Reference Author | C.SUBRAHMANYAM,R.KULATHEESWARAN,R.S.WARD |
| Literature Reference Citation | J.NAT.PROD.,61,1120(1998) |
| Literature Reference DOI | 10.1021/np960576v |
| Molecular Weight | 599.032 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP2156 |