| SpectraBase Compound ID | HpHGwoYUShC |
|---|---|
| InChI | InChI=1S/C42H64O4/c1-28(12-20-33-29(2)13-22-35-39(33,4)24-10-26-41(35,6)37(43)45-8)32-18-15-31(16-19-32)17-21-34-30(3)14-23-36-40(34,5)25-11-27-42(36,7)38(44)46-9/h15,32-36H,1-3,10-14,16-27H2,4-9H3/t32?,33-,34-,35+,36+,39+,40+,41+,42+/m1/s1 |
| InChIKey | FEDVOJBETKNLSY-AFGZDKSISA-N |
| Mol Weight | 633.0 g/mol |
| Molecular Formula | C42H64O4 |
| Exact Mass | 632.480461 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2Dnqriq4Hk5 |
|---|---|
| Name | ENT-METHYLISOOZATE-DIMER |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H64O4 |
| InChI | InChI=1S/C42H64O4/c1-28(12-20-33-29(2)13-22-35-39(33,4)24-10-26-41(35,6)37(43)45-8)32-18-15-31(16-19-32)17-21-34-30(3)14-23-36-40(34,5)25-11-27-42(36,7)38(44)46-9/h15,32-36H,1-3,10-14,16-27H2,4-9H3/t32?,33-,34-,35+,36+,39+,40+,41+,42+/m1/s1 |
| InChIKey | FEDVOJBETKNLSY-AFGZDKSISA-N |
| Literature Reference Author | D.MARTINS,L.HAMERSKI,S.A.V.ALVARENGA,N.F.ROQUE |
| Literature Reference Citation | PHYTOCHEM.,51,813(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00097-7 |
| Molecular Weight | 632.968 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWUC5 |