centellasaponin B

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InChI :InChI=1/C42H68O16/c1-18-9-10-42(37(54)58-36-32(52)30(50)28(48)24(57-36)16-55-35-31(51)29(49)27(47)23(15-43)56-35)12-11-40(5)20(26(42)19(18)2)7-8-25-38(3)13-22(46)34(53)39(4,17-44)33(38)21(45)14-41(25,40)6/h7,18-19,21-36,43-53H,8-17H2,1-6H3/t18-,19+,21-,22-,23-,24-,25-,26+,27-,28-,29+,30+,31-,32-,33-,34+,35-,36+,38-,39+,40-,41-,42+/m1/s1
Std.InChI: InChI=1S/C42H68O16/c1-18-9-10-42(37(54)58-36-32(52)30(50)28(48)24(57-36)16-55-35-31(51)29(49)27(47)23(15-43)56-35)12-11-40(5)20(26(42)19(18)2)7-8-25-38(3)13-22(46)34(53)39(4,17-44)33(38)21(45)14-41(25,40)6/h7,18-19,21-36,43-53H,8-17H2,1-6H3/t18-,19+,21-,22-,23-,24-,25-,26+,27-,28-,29+,30+,31-,32-,33-,34+,35-,36+,38-,39+,40-,41-,42+/m1/s1
InChIKey :JSQCMNXZFPMWES-WRBXKWMABH
Std.InChIKey: JSQCMNXZFPMWES-WRBXKWMASA-N
SMILES :C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(C[C@H]([C@@H]5[C@@]4(C[C@H]([C@@H]([C@@]5(C)CO)O)O)C)O)C)[C@@H]2[C@H]1C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O
Molar Refractivity :205.52 ± 0.4 cm3 (est)
Parachor :1708.6 ± 6.0 cm3 (est)
Index of Refraction :1.632 ± 0.03 (est)
Surface Tension :77.4 ± 5.0 dyne/cm (est)
Density :1.43 ± 0.1 g/cm3 (est)
Polarizability :81.47 ± 0.5 10-24cm3 (est)