IUPAC Name :[(2S,3R)-3-[(1S,2R,4aR,4bR,7S,8aR,10aR)-4b,8,8,10a-tetramethyl-2'-oxo-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[2,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-1,4'-oxolane]-2-yl]-1-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]butan-2-yl] acetate
InChI :InChI=1/C38H58O12/c1-19-14-22(48-33(19)45)15-24(47-21(3)40)20(2)23-8-9-27-36(6)12-11-28(50-34-32(44)31(43)30(42)25(17-39)49-34)35(4,5)26(36)10-13-37(27,7)38(23)16-29(41)46-18-38/h14,20,22-28,30-32,34,39,42-44H,8-13,15-18H2,1-7H3/t20-,22+,23-,24+,25-,26+,27-,28+,30-,31+,32-,34+,36+,37-,38+/m1/s1
Std.InChI: InChI=1S/C38H58O12/c1-19-14-22(48-33(19)45)15-24(47-21(3)40)20(2)23-8-9-27-36(6)12-11-28(50-34-32(44)31(43)30(42)25(17-39)49-34)35(4,5)26(36)10-13-37(27,7)38(23)16-29(41)46-18-38/h14,20,22-28,30-32,34,39,42-44H,8-13,15-18H2,1-7H3/t20-,22+,23-,24+,25-,26+,27-,28+,30-,31+,32-,34+,36+,37-,38+/m1/s1
InChIKey :QYJNHCJKVKCJTN-DACNFIPLBV
Std.InChIKey: QYJNHCJKVKCJTN-DACNFIPLSA-N
SMILES :CC1=C[C@H](OC1=O)C[C@@H]([C@H](C)[C@H]2CC[C@@H]3[C@]4(CC[C@@H](C([C@@H]4CC[C@]3([C@]25CC(=O)OC5)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)OC(=O)C
Molar Refractivity :180.39 ± 0.4 cm3 (est)
Parachor :1505.3 ± 6.0 cm3 (est)
Index of Refraction :1.574 ± 0.03
(est)
Surface Tension :57.7 ± 5.0 dyne/cm (est)
Density :1.29 ± 0.1 g/cm3 (est)
Polarizability :71.51 ± 0.5 10-24cm3 (est)