IUPAC Name :(E,6R)-6-[(3R,5R,10S,13R,14R,15S,17R)-3,15-diacetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
InChI :InChI=1/C34H50O6/c1-20(11-10-12-21(2)30(37)38)26-19-29(40-23(4)36)34(9)25-13-14-27-31(5,6)28(39-22(3)35)16-17-32(27,7)24(25)15-18-33(26,34)8/h12-13,15,20,26-29H,10-11,14,16-19H2,1-9H3,(H,37,38)/b21-12+/t20-,26-,27+,28-,29+,32-,33-,34-/m1/s1
Std.InChI: InChI=1S/C34H50O6/c1-20(11-10-12-21(2)30(37)38)26-19-29(40-23(4)36)34(9)25-13-14-27-31(5,6)28(39-22(3)35)16-17-32(27,7)24(25)15-18-33(26,34)8/h12-13,15,20,26-29H,10-11,14,16-19H2,1-9H3,(H,37,38)/b21-12+/t20-,26-,27+,28-,29+,32-,33-,34-/m1/s1
InChIKey :OTUZGGSAOMCYNC-AEGHVTTBBO
Std.InChIKey: OTUZGGSAOMCYNC-AEGHVTTBSA-N
SMILES :C[C@H](CC/C=C(\C)/C(=O)O)[C@H]1C[C@@H]([C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CC[C@H](C4(C)C)OC(=O)C)C)C)C)OC(=O)C
Molar Refractivity :155.64 ± 0.4 cm3 (est)
Parachor :1273.9 ± 6.0 cm3 (est)
Index of Refraction :1.544 ± 0.03
(est)
Surface Tension :44.8 ± 5.0 dyne/cm (est)
Density :1.12 ± 0.1 g/cm3 (est)
Polarizability :61.70 ± 0.5 10-24cm3 (est)