IUPAC Name :6-[[(3S,6bS)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-4,5-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid
InChI :InChI=1/C54H86O24/c1-49(2)14-16-54(48(70)78-46-38(66)35(63)32(60)26(21-57)73-46)17-15-52(6)22(23(54)18-49)8-9-28-51(5)12-11-29(50(3,4)27(51)10-13-53(28,52)7)74-47-42(77-45-37(65)34(62)31(59)25(20-56)72-45)40(39(67)41(76-47)43(68)69)75-44-36(64)33(61)30(58)24(19-55)71-44/h8,23-42,44-47,55-67H,9-21H2,1-7H3,(H,68,69)/t23?,24?,25?,26?,27?,28?,29-,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,44?,45?,46?,47?,51?,52+,53?,54?/m0/s1
Std.InChI: InChI=1S/C54H86O24/c1-49(2)14-16-54(48(70)78-46-38(66)35(63)32(60)26(21-57)73-46)17-15-52(6)22(23(54)18-49)8-9-28-51(5)12-11-29(50(3,4)27(51)10-13-53(28,52)7)74-47-42(77-45-37(65)34(62)31(59)25(20-56)72-45)40(39(67)41(76-47)43(68)69)75-44-36(64)33(61)30(58)24(19-55)71-44/h8,23-42,44-47,55-67H,9-21H2,1-7H3,(H,68,69)/t23?,24?,25?,26?,27?,28?,29-,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,44?,45?,46?,47?,51?,52+,53?,54?/m0/s1
InChIKey :YSCJAYPKBYRXEZ-LKXHCCTGBU
Std.InChIKey: YSCJAYPKBYRXEZ-LKXHCCTGSA-N
SMILES :C[C@@]12CCC3(CCC(CC3C1=CCC4C2(CCC5C4(CC[C@@H](C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C)(C)C)C(=O)OC9C(C(C(C(O9)CO)O)O)O
Molar Refractivity :268.57 ± 0.4 cm3 (est)
Parachor :2252.1 ± 6.0 cm3 (est)
Index of Refraction :1.640 ± 0.03
(est)
Surface Tension :83.5 ± 5.0 dyne/cm (est)
Density :1.50 ± 0.1 g/cm3 (est)
Polarizability :106.47 ± 0.5 10-24cm3 (est)