| Name |
Aesculitannin B |
| Formula |
C45H36O18 |
| Mw |
864.19016435 |
| CAS RN |
114612-77-0 |
| C_ID |
C00009293
, 
|
| InChIKey |
BYSRPHRKESMCPO-NMKPTYTCNA-N |
| InChICode |
InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37+,38+,39+,40+,41-,44+,45-/m0/s1 |
| SMILES |
Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apocynaceae | Parameria laevigata MOLDENKE  | Ref. |
| Plantae | Sapindaceae | Aesculus hippocastanum | Ref. |
|
|
zoom in
| Organism | Aesculus hippocastanum |
|---|
| Reference | Harborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins
Morimoto,Chem.Pharm.Bull.,35,(1987),4717
Santos-Buelga,Phytochem.,38,(1995),499 |
|---|
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