CAS | 77-52-1 |
Structure | |
Synonyms | 3β-Hydroxy-12-ursen-28-ic acid |
IUPAC Name | (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid |
Molecular Weight | 456.7 |
Molecular Formula | C30H48O3 |
Canonical SMILES | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O |
InChI | InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1 |
InChI Key | WCGUUGGRBIKTOS-GPOJBZKASA-N |
Boiling Point | 502.79 °C |
Melting Point | 292 °C |
Flash Point | 304.6°C |
Density | 1.026 g/ml |
pKa | 4.68±0.70 |
Solubility in Water | Insoluble |
Appearance | White powder |
Our products and services are for research use only.