| SpectraBase Compound ID | 1bqmFSygh6M |
|---|---|
| InChI | InChI=1S/C45H62O4/c1-36(2)18-13-21-39(5)24-14-25-40(6)26-17-29-43(9)34-35-49-45(47)33-31-42(8)28-16-23-38(4)20-12-11-19-37(3)22-15-27-41(7)30-32-44(46)48-10/h11-12,15-16,18-20,22-24,26-28,30-34H,13-14,17,21,25,29,35H2,1-10H3/b12-11+,22-15+,23-16+,32-30+,33-31+,37-19+,38-20+,39-24+,40-26+,41-27+,42-28+,43-34+ |
| InChIKey | DFRROFUPJNRAIP-JWTJIYGZSA-N |
| Mol Weight | 667.0 g/mol |
| Molecular Formula | C45H62O4 |
| Exact Mass | 666.46481 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1ssEG54uZm4 |
|---|---|
| Name | 6-GERANYLGERANYL-6'-METHYL-(9'Z)-6,6'-DIAPOCAROTEN-6,6'-DIOATE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H62O4 |
| InChI | InChI=1S/C45H62O4/c1-36(2)18-13-21-39(5)24-14-25-40(6)26-17-29-43(9)34-35-49-45(47)33-31-42(8)28-16-23-38(4)20-12-11-19-37(3)22-15-27-41(7)30-32-44(46)48-10/h11-12,15-16,18-20,22-24,26-28,30-34H,13-14,17,21,25,29,35H2,1-10H3/b12-11+,22-15+,23-16+,32-30+,33-31+,37-19+,38-20+,39-24+,40-26+,41-27+,42-28+,43-34+ |
| InChIKey | DFRROFUPJNRAIP-JWTJIYGZSA-N |
| Literature Reference Author | A.Z.MERCADANTE,A.STECK,H.PFANDER |
| Literature Reference Citation | PHYTOCHEM.,52,135(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00761-4 |
| Molecular Weight | 666.985 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN831 |