IUPAC Name :17-[(E)-2,6-dihydroxy-6-methylhept-4-en-2-yl]-4,4,8,10-tetramethyl-14-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3-(3,4,5-trihydroxyoxan-2-yl)oxy-1,2,3,5,6,7,9,11,12,13,15,17-dodecahydrocyclopenta[a]phenanthren-16-one
InChI :InChI=1/C41H68O14/c1-36(2,50)13-8-14-40(7,51)28-21-9-10-26-38(5)15-12-27(55-34-32(48)29(45)23(44)19-52-34)37(3,4)25(38)11-16-39(26,6)41(21,17-22(28)43)20-53-35-33(49)31(47)30(46)24(18-42)54-35/h8,13,21,23-35,42,44-51H,9-12,14-20H2,1-7H3/b13-8+
Std.InChI: InChI=1S/C41H68O14/c1-36(2,50)13-8-14-40(7,51)28-21-9-10-26-38(5)15-12-27(55-34-32(48)29(45)23(44)19-52-34)37(3,4)25(38)11-16-39(26,6)41(21,17-22(28)43)20-53-35-33(49)31(47)30(46)24(18-42)54-35/h8,13,21,23-35,42,44-51H,9-12,14-20H2,1-7H3/b13-8+
InChIKey :VBKOGDDRGMIPNJ-MDWZMJQEBJ
Std.InChIKey: VBKOGDDRGMIPNJ-MDWZMJQESA-N
SMILES :CC1(C2CCC3(C(C2(CCC1OC4C(C(C(CO4)O)O)O)C)CCC5C3(CC(=O)C5C(C)(C/C=C/C(C)(C)O)O)COC6C(C(C(C(O6)CO)O)O)O)C)C
Molar Refractivity :200.19 ± 0.4 cm3 (est)
Parachor :1672.2 ± 6.0 cm3 (est)
Index of Refraction :1.603 ± 0.03
(est)
Surface Tension :67.8 ± 5.0 dyne/cm (est)
Density :1.34 ± 0.1 g/cm3 (est)
Polarizability :79.36 ± 0.5 10-24cm3 (est)