中文别名 | Pyracrenic acid(,MSDS,熔点,溶解度) |
英文别名 | Pyracrenic acid;(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid |
CAS号 | 80832-44-6 |
SMILES | CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C=CC6=CC(=C(C=C6)O)O)C)C(=O)O |
Inchi | InChI=1S/C39H54O6/c1-23(2)25-14-19-39(34(43)44)21-20-37(6)26(33(25)39)10-12-30-36(5)17-16-31(35(3,4)29(36)15-18-38(30,37)7)45-32(42)13-9-24-8-11-27(40)28(41)22-24/h8-9,11,13,22,25-26,29-31,33,40-41H,1,10,12,14-21H2,2-7H3,(H,43,44)/b13-9+/t25-,26+,29-,30+,31-,33+,36-,37+,38+,39-/m0/s1 |
InchiKey | MNUNUJQYFJZRHQ-VZLLCJDWSA-N |
分子式 Formula | C39H54O6 |
分子量 Molecular Weight | 618.8g/mol |
闪点 FP | 213.2±26.4 ℃ |
沸点 Boiling point | 712.1±60.0 ℃ at 760 mmHg |
密度 Density | 1.2±0.1 g/cm3 |
蒸汽压 Vapor Pressure | 0.0±2.4 mmHg at 25℃ |
储藏条件 Storage conditions | 4℃条件下存储,-4℃条件下存储更佳 |