IUPAC Name :[6-[[3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-but-2-enoate
InChI :InChI=1/C46H76O15/c1-10-12-31(50)57-22-28-34(52)36(54)37(55)40(60-28)58-26-20-45(8)29(43(6)17-15-30(49)42(4,5)39(26)43)19-25(48)32-24(14-18-44(32,45)7)46(9,16-11-13-23(2)3)61-41-38(56)35(53)33(51)27(21-47)59-41/h10,12-13,24-30,32-41,47-49,51-56H,11,14-22H2,1-9H3/b12-10+
Std.InChI: InChI=1S/C46H76O15/c1-10-12-31(50)57-22-28-34(52)36(54)37(55)40(60-28)58-26-20-45(8)29(43(6)17-15-30(49)42(4,5)39(26)43)19-25(48)32-24(14-18-44(32,45)7)46(9,16-11-13-23(2)3)61-41-38(56)35(53)33(51)27(21-47)59-41/h10,12-13,24-30,32-41,47-49,51-56H,11,14-22H2,1-9H3/b12-10+
InChIKey :HMPXCABYJUUDEV-ZRDIBKRKBK
Std.InChIKey: HMPXCABYJUUDEV-ZRDIBKRKSA-N
SMILES :C/C=C/C(=O)OCC1C(C(C(C(O1)OC2CC3(C(CC(C4C3(CCC4C(C)(CCC=C(C)C)OC5C(C(C(C(O5)CO)O)O)O)C)O)C6(C2C(C(CC6)O)(C)C)C)C)O)O)O
Molar Refractivity :224.69 ± 0.4 cm3 (est)
Parachor :1874.3 ± 6.0 cm3 (est)
Index of Refraction :1.593 ± 0.03
(est)
Surface Tension :63.8 ± 5.0 dyne/cm (est)
Density :1.31 ± 0.1 g/cm3 (est)
Polarizability :89.07 ± 0.5 10-24cm3 (est)