CAS | 771493-42-6 |
Synonyms | 6α-Hydroxycleroda-3,13-dien- 16,15-olid-18-oic acid |
IUPAC Name | (4aR,5S,6R,8S,8aR)-8-hydroxy-5,6,8a-trimethyl-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid |
Molecular Weight | 348.43 |
Molecular Formula | C20H28O5 |
Canonical SMILES | C[C@@H]1C[C@@H]([C@@]2([C@@H]([C@@]1(C)CCC3=CCOC3=O)CCC=C2C(=O)O)C)O |
InChI | InChI=1S/C20H28O5/c1-12-11-16(21)20(3)14(17(22)23)5-4-6-15(20)19(12,2)9-7-13-8-10-25-18(13)24/h5,8,12,15-16,21H,4,6-7,9-11H2,1-3H3,(H,22,23)/t12-,15-,16+,19+,20+/m1/s1 |
InChI Key | VIZZFMPBFLWOFS-JJOBAADDSA-N |
Boiling Point | 549.8±35.0 °C |
Purity | 98% |
Density | 1.188±0.06 g/ml |
pKa | 4.71±0.70 |
Appearance | Solid |
Our products and services are for research use only.