assamsaponin J

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InChI :InChI=1/C66H96O27/c1-29-42(73)45(76)47(78)57(84-29)92-52-43(74)35(71)27-83-59(52)90-50-49(80)51(56(81)82)91-60(53(50)93-58-48(79)46(77)44(75)36(26-67)87-58)88-39-21-22-63(8)37(62(39,6)7)20-23-64(9)38(63)18-17-33-34-24-61(4,5)54(86-31(3)70)55(89-41(72)19-16-32-14-12-11-13-15-32)66(34,28-68)40(85-30(2)69)25-65(33,64)10/h11-17,19,29,34-40,42-55,57-60,67-68,71,73-80H,18,20-28H2,1-10H3,(H,81,82)/b19-16+/t29-,34-,35-,36+,37-,38+,39-,40+,42-,43-,44-,45+,46-,47+,48+,49-,50-,51-,52+,53+,54-,55-,57-,58-,59-,60+,63-,64+,65+,66-/m0/s1
Std.InChI: InChI=1S/C66H96O27/c1-29-42(73)45(76)47(78)57(84-29)92-52-43(74)35(71)27-83-59(52)90-50-49(80)51(56(81)82)91-60(53(50)93-58-48(79)46(77)44(75)36(26-67)87-58)88-39-21-22-63(8)37(62(39,6)7)20-23-64(9)38(63)18-17-33-34-24-61(4,5)54(86-31(3)70)55(89-41(72)19-16-32-14-12-11-13-15-32)66(34,28-68)40(85-30(2)69)25-65(33,64)10/h11-17,19,29,34-40,42-55,57-60,67-68,71,73-80H,18,20-28H2,1-10H3,(H,81,82)/b19-16+/t29-,34-,35-,36+,37-,38+,39-,40+,42-,43-,44-,45+,46-,47+,48+,49-,50-,51-,52+,53+,54-,55-,57-,58-,59-,60+,63-,64+,65+,66-/m0/s1
InChIKey :WMDYPPZNMOEMLX-QPUTYZEDBZ
Std.InChIKey: WMDYPPZNMOEMLX-QPUTYZEDSA-N
SMILES :C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2O[C@H]3[C@@H]([C@H](O[C@H]([C@@H]3O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O[C@H]5CC[C@]6([C@H](C5(C)C)CC[C@@]7([C@@H]6CC=C8[C@]7(C[C@H]([C@@]9([C@H]8CC([C@H]([C@@H]9OC(=O)/C=C/C1=CC=CC=C1)OC(=O)C)(C)C)CO)OC(=O)C)C)C)C)C(=O)O)O)O)O)O)O)O
Molar Refractivity :323.32 ± 0.4 cm3 (est)
Parachor :2687.3 ± 6.0 cm3 (est)
Index of Refraction :1.630 ± 0.03 (est)
Surface Tension :76.5 ± 5.0 dyne/cm (est)
Density :1.45 ± 0.1 g/cm3 (est)
Polarizability :128.17 ± 0.5 10-24cm3 (est)