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| Catalog Number | CI-OT-0058 |
| Product Name | Diacetyl Benzoyl Lathyrol |
| CAS | 218916-52-0 |
| Structure |  |
| Synonyms | 1,11-Diacetoxy-3,6,6,14-tetramethyl-1-methylene-2-oxotricyclo[1.3..(5,7)]pentadec-3-en-13-yl benzoate |
| IUPAC Name | [(1R,3E,5R,7S,11R,12R,13S,14S)-1,11-diacetyloxy-3,6,6,14-tetramethyl-10-methylidene-2-oxo-13-tricyclo[10.3.0.05,7]pentadec-3-enyl] benzoate |
| Molecular Weight | 522.6 g/mol |
| Molecular Formula | C31H38O7 |
| InChI | InChI=1S/C31H38O7/c1-17-13-14-23-24(30(23,6)7)15-18(2)28(34)31(38-21(5)33)16-19(3)27(25(31)26(17)36-20(4)32)37-29(35)22-11-9-8-10-12-22/h8-12,15,19,23-27H,1,13-14,16H2,2-7H3/b18-15+/t19-,23-,24+,25-,26-,27-,31+/m0/s1 |
| InChI Key | JPYYWXPAHJBKJX-VWSFRBHVSA-N |
| Boiling Point | 595.5±50.0 °C |
| Purity | 95% |
| Density | 1.19 g/mL |
| Appearance | Solid |
| Isomeric SMILES | C[C@H]1C[C@]2([C@H]([C@H]1OC(=O)C3=CC=CC=C3)[C@H](C(=C)CC[C@H]4[C@H](C4(C)C)/C=C(/C2=O)\C)OC(=O)C)OC(=O)C |
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