| 2D: |
 |
| 3D: |
|
| CAS Number: |
210637-19-7
|
| FDA UNII: |
Search |
| Category: |
natural substances and extractives |
| IUPAC Name: |
corchorusoside E |
| InChI : |
InChI=1/C41H64O19/c1-18-35(60-37-34(51)32(49)30(47)26(59-37)16-55-36-33(50)31(48)29(46)25(14-42)58-36)24(44)12-28(56-18)57-20-3-8-39(17-43)22-4-7-38(2)21(19-11-27(45)54-15-19)6-10-41(38,53)23(22)5-9-40(39,52)13-20/h11,18,20-26,28-37,42-44,46-53H,3-10,12-17H2,1-2H3/t18-,20+,21-,22+,23-,24+,25-,26-,28+,29-,30-,31+,32+,33-,34-,35+,36-,37+,38-,39+,40+,41+/m1/s1 |
| Std.InChI: |
InChI=1S/C41H64O19/c1-18-35(60-37-34(51)32(49)30(47)26(59-37)16-55-36-33(50)31(48)29(46)25(14-42)58-36)24(44)12-28(56-18)57-20-3-8-39(17-43)22-4-7-38(2)21(19-11-27(45)54-15-19)6-10-41(38,53)23(22)5-9-40(39,52)13-20/h11,18,20-26,28-37,42-44,46-53H,3-10,12-17H2,1-2H3/t18-,20+,21-,22+,23-,24+,25-,26-,28+,29-,30-,31+,32+,33-,34-,35+,36-,37+,38-,39+,40+,41+/m1/s1 |
| InChIKey : |
ZEGXQALGZJKCGX-OWLQQNDCBX |
| Std.InChIKey: |
ZEGXQALGZJKCGX-OWLQQNDCSA-N |
| SMILES : |
C[C@@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)CO)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O |
| Molar Refractivity : |
204.07 ± 0.4 cm3 (est) |
| Parachor : |
1703.8 ± 6.0 cm3 (est) |
| Index of Refraction : |
1.651 ± 0.03
(est) |
| Surface Tension : |
86.7 ± 5.0 dyne/cm (est) |
| Density : |
1.54 ± 0.1 g/cm3 (est) |
| Polarizability : |
80.90 ± 0.5 10-24cm3 (est) |
