| Name |
Coelobillardin |
| Formula |
C52H64O26 |
| Mw |
1104.36858222 |
| CAS RN |
452962-76-4 |
| C_ID |
C00036921
, 
|
| InChIKey |
TWWAEKUHALZOHJ-KHEQCSEONA-N |
| InChICode |
InChI=1S/C52H64O26/c1-69-45(65)25-15-73-49(77-51-43(63)41(61)39(59)31(13-53)75-51)35-23(25)11-29(57)27(35)17-71-47(67)37-33(19-3-7-21(55)8-4-19)38(34(37)20-5-9-22(56)10-6-20)48(68)72-18-28-30(58)12-24-26(46(66)70-2)16-74-50(36(24)28)78-52-44(64)42(62)40(60)32(14-54)76-52/h3-10,15-16,23-24,27-44,49-64H,11-14,17-18H2,1-2H3/t23-,24-,27+,28+,29+,30+,31-,32-,33-,34-,35-,36-,37-,38+,39-,40-,41+,42+,43-,44-,49+,50+,51+,52+/m1/s1 |
| SMILES |
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](COC(=O)[C@H]3[C@H](c4ccc(O)cc4)[C@H](C(=O)OC[C@@H]4[C@H]5[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)OC=C(C(=O)OC)[C@H]5C[C@@H]4O)[C@H]3c3ccc(O)cc3)[C@@H](O)C[C@H]12 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rubiaceae | Coelospermum billardieri | Ref. |
|
|
zoom in
|
