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Name |
Alisol A |
EINECS | N/A |
CAS No. | 19885-10-0 | Density | 1.144 g/cm3 |
PSA | 97.99000 | LogP | 4.79450 |
Solubility | N/A | Melting Point |
90-91 °C |
Formula | C30H50O5 | Boiling Point | 629.302 °C at 760 mmHg |
Molecular Weight | 490.71 | Flash Point | 348.398 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
8a,9b,14b-Dammar-13(17)-en-3-one, 11b,23,24,25-tetrahydroxy-, (23S,24R)- (8CI);Alisol A; |
Article Data | 2 |
The cas register number of Alisol A is 19885-10-0. It also can be called as (23S,24R)-11b,23,24,25-Tetrahydroxydammar-13(17)-en-3-one and the IUPAC Name about this chemical is (5R,8S,9S,10S,11S,14R)-11-hydroxy-4,4,8,10,14-pentamethyl-17-[(4S,5R)-4,5,6-trihydroxy-6-methylheptan-2-yl]-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one.
Physical properties about Alisol A are: (1)ACD/LogP: 4.22; (2)ACD/LogD (pH 5.5): 4.218; (3)ACD/LogD (pH 7.4): 4.218; (4)ACD/BCF (pH 5.5): 946.142; (5)ACD/BCF (pH 7.4): 946.142; (6)ACD/KOC (pH 5.5): 4696.668; (7)ACD/KOC (pH 7.4): 4696.666; (8)#H bond acceptors: 5; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 9; (11)Polar Surface Area: 97.99Å2; (12)Index of Refraction: 1.559; (13)Molar Refractivity: 138.404 cm3; (14)Molar Volume: 428.854 cm3; (15)Polarizability: 54.868x10-24cm3; (16)Surface Tension: 49.32 dyne/cm; (17)Enthalpy of Vaporization: 106.702 kJ/mol.
You can still convert the following datas into molecular structure:
(1)SMILES: C[C@H](C[C@@H]([C@H](C(C)(C)O)O)O)C1=C2C[C@@H]([C@H]3[C@]4(CCC(=O)C([C@@H]4CC[C@@]3([C@]2(CC1)C)C)(C)C)C)O
(2)InChI: InChI=1/C30H50O5/c1-17(15-21(32)25(34)27(4,5)35)18-9-13-29(7)19(18)16-20(31)24-28(6)12-11-23(33)26(2,3)22(28)10-14-30(24,29)8/h17,20-22,24-25,31-32,34-35H,9-16H2,1-8H3/t17-,20+,21+,22+,24+,25-,28+,29+,30+/m1/s1
(3)InChIKey: HNOSJVWYGXOFRP-UNPOXIGHBQ
(4)Std. InChI: InChI=1S/C30H50O5/c1-17(15-21(32)25(34)27(4,5)35)18-9-13-29(7)19(18)16-20(31)24-28(6)12-11-23(33)26(2,3)22(28)10-14-30(24,29)8/h17,20-22,24-25,31-32,34-35H,9-16H2,1-8H3/t17-,20+,21+,22+,24+,25-,28+,29+,30+/m1/s1
(5)Std. InChIKey: HNOSJVWYGXOFRP-UNPOXIGHSA-N