Alisol A

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: 97.99Ų; (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