IUPAC Name :(1R,7R,7aR)-7-acetyloxy-1-[(E,2R,4S)-6-carboxy-4-hydroxyhept-5-en-2-yl]-5-[[(4S)-2,2-dimethyl-3-oxo-7-oxabicyclo[2.2.1]heptan-4-yl]methyl]-1,7a-dimethyl-6,7-dihydro-2H-indene-4-carboxylic acid
InChI :InChI=1/C31H42O9/c1-16(25(34)35)12-20(33)13-17(2)29(6)10-8-21-24(26(36)37)19(14-23(30(21,29)7)39-18(3)32)15-31-11-9-22(40-31)28(4,5)27(31)38/h8,12,17,20,22-23,33H,9-11,13-15H2,1-7H3,(H,34,35)(H,36,37)/b16-12+/t17-,20-,22?,23-,29-,30-,31+/m1/s1
Std.InChI: InChI=1S/C31H42O9/c1-16(25(34)35)12-20(33)13-17(2)29(6)10-8-21-24(26(36)37)19(14-23(30(21,29)7)39-18(3)32)15-31-11-9-22(40-31)28(4,5)27(31)38/h8,12,17,20,22-23,33H,9-11,13-15H2,1-7H3,(H,34,35)(H,36,37)/b16-12+/t17-,20-,22?,23-,29-,30-,31+/m1/s1
InChIKey :RMMQUGYNWLQNHP-QACVTDSRBY
Std.InChIKey: RMMQUGYNWLQNHP-QACVTDSRSA-N
SMILES :C[C@H](C[C@@H](/C=C(\C)/C(=O)O)O)[C@]1(CC=C2[C@@]1([C@@H](CC(=C2C(=O)O)C[C@]34CCC(O3)C(C4=O)(C)C)OC(=O)C)C)C
Molar Refractivity :144.73 ± 0.4 cm3 (est)
Parachor :1191.2 ± 6.0 cm3 (est)
Index of Refraction :1.580 ± 0.03
(est)
Surface Tension :56.4 ± 5.0 dyne/cm (est)
Density :1.28 ± 0.1 g/cm3 (est)
Polarizability :57.37 ± 0.5 10-24cm3 (est)