IUPAC Name :2-[[5-[[(2R,3R,5R,10S,12S,13R,14S,17R)-2,12-dihydroxy-4,4,10,13,14-pentamethyl-17-[(2R,5R)-1,5,6-trihydroxy-6-methylheptan-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-hydroxy-3-methyl-5-oxopentanoyl]amino]acetic acid
InChI :InChI=1/C38H63NO11/c1-33(2)26-11-10-23-24(15-28(43)38(8)22(13-14-37(23,38)7)21(20-40)9-12-27(42)34(3,4)48)36(26,6)16-25(41)32(33)50-31(47)18-35(5,49)17-29(44)39-19-30(45)46/h21-22,25-28,32,40-43,48-49H,9-20H2,1-8H3,(H,39,44)(H,45,46)/t21-,22+,25+,26-,27+,28-,32-,35?,36+,37-,38-/m0/s1
Std.InChI: InChI=1S/C38H63NO11/c1-33(2)26-11-10-23-24(15-28(43)38(8)22(13-14-37(23,38)7)21(20-40)9-12-27(42)34(3,4)48)36(26,6)16-25(41)32(33)50-31(47)18-35(5,49)17-29(44)39-19-30(45)46/h21-22,25-28,32,40-43,48-49H,9-20H2,1-8H3,(H,39,44)(H,45,46)/t21-,22+,25+,26-,27+,28-,32-,35?,36+,37-,38-/m0/s1
InChIKey :IOMBMOCSWVAYQU-VIOBODDWBK
Std.InChIKey: IOMBMOCSWVAYQU-VIOBODDWSA-N
SMILES :C[C@@]12CC[C@@H]([C@]1([C@H](CC3=C2CC[C@@H]4[C@@]3(C[C@H]([C@@H](C4(C)C)OC(=O)CC(C)(CC(=O)NCC(=O)O)O)O)C)O)C)[C@@H](CC[C@H](C(C)(C)O)O)CO
Molar Refractivity :182.16 ± 0.5 cm3 (est)
Parachor :1427.1 ± 8.0 cm3 (est)
Index of Refraction :1.592 ± 0.05
(est)
Surface Tension :49.5 ± 7.0 dyne/cm (est)
Density :1.31 ± 0.1 g/cm3 (est)
Polarizability :72.21 ± 0.5 10-24cm3 (est)