22-angeloyltheasapogenol A

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IUPAC Name :[3,5,10-trihydroxy-4a,9-bis(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4-yl] (Z)-2-methylbut-2-enoate
InChI :InChI=1/C35H56O7/c1-9-20(2)29(41)42-28-27(40)30(3,4)16-22-21-10-11-24-31(5)14-13-25(38)32(6,18-36)23(31)12-15-33(24,7)34(21,8)17-26(39)35(22,28)19-37/h9-10,22-28,36-40H,11-19H2,1-8H3/b20-9-
Std.InChI: InChI=1S/C35H56O7/c1-9-20(2)29(41)42-28-27(40)30(3,4)16-22-21-10-11-24-31(5)14-13-25(38)32(6,18-36)23(31)12-15-33(24,7)34(21,8)17-26(39)35(22,28)19-37/h9-10,22-28,36-40H,11-19H2,1-8H3/b20-9-
InChIKey :BKBHDJLHSWOMFP-UKWGHVSLBS
Std.InChIKey: BKBHDJLHSWOMFP-UKWGHVSLSA-N
SMILES :C/C=C(/C)\C(=O)OC1C(C(CC2C1(C(CC3(C2=CCC4C3(CCC5C4(CCC(C5(C)CO)O)C)C)C)O)CO)(C)C)O
Molar Refractivity :162.69 ± 0.4 cm3 (est)
Parachor :1326.5 ± 6.0 cm3 (est)
Index of Refraction :1.581 ± 0.03 (est)
Surface Tension :54.6 ± 5.0 dyne/cm (est)
Density :1.20 ± 0.1 g/cm3 (est)
Polarizability :64.49 ± 0.5 10-24cm3 (est)