Scoparinol
Request a quote| Catalog Number | ACM130838005 |
| CAS | 130838-00-5 |
| IUPAC Name | [(1R,4S,4aR,8R,8aR)-8-(hydroxymethyl)-4-[(E)-5-hydroxy-3-methylpent-3-enyl]-4a,8-dimethyl-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] benzoate |
| Molecular Weight | 426.6 |
| Molecular Formula | C27H38O4 |
| Canonical SMILES | CC(=CCO)CCC1C(=C)CC(C2C1(CCCC2(C)CO)C)OC(=O)C3=CC=CC=C3 |
| Inchi | InChI=1S/C27H38O4/c1-19(13-16-28)11-12-22-20(2)17-23(31-25(30)21-9-6-5-7-10-21)24-26(3,18-29)14-8-15-27(22,24)4/h5-7,9-10,13,22-24,28-29H,2,8,11-12,14-18H2,1,3-4H3/b19-13+/t22-,23+,24-,26-,27+/m0/s1 |
| InChIKey | WGSYIFPPMZUQAN-IZCLTQQPSA-N |
| Purity | 98% |
| Appearance | Powder |
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