| Name |
Aesculitannin C |
| Formula |
C45H34O18 |
| Mw |
862.17451429 |
| CAS RN |
114569-29-8 |
| C_ID |
C00009300
, 
|
| InChIKey |
PGKGIQLKUPNZFG-JTXPULTDNA-N |
| InChICode |
InChI=1S/C45H34O18/c46-18-10-27(54)33-30(11-18)60-44(16-2-5-21(48)25(52)8-16)42(57)37(33)36-32(61-44)14-28(55)34-38-35-31(62-45(43(38)58,63-41(34)36)17-3-6-22(49)26(53)9-17)13-23(50)19-12-29(56)39(59-40(19)35)15-1-4-20(47)24(51)7-15/h1-11,13-14,29,37-39,42-43,46-58H,12H2/t29-,37-,38-,39-,42-,43-,44+,45-/m1/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@@]1(c2ccc(O)c(O)c2)Oc2cc(O)c3c(c2[C@@H]4[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C3 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apocynaceae | Ecdysanthera utilis | 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
Balde,Phytochem.,38,(1995),719 |
|---|
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