| Name |
Castacrenin F |
| Formula |
C55H30O33 |
| Mw |
1218.06693349 |
| CAS RN |
200435-36-5 |
| C_ID |
C00055360
|
| InChIKey |
MLTBCPQCBQEVMT-UHFFFAOYSA-N |
| InChICode |
InChI=1S/C55H30O33/c56-10-1-6-15(33(64)29(10)60)16-7(2-11(57)30(61)34(16)65)51(77)84-44-14(5-82-49(6)75)83-50(76)8-3-12(58)31(62)35(66)17(8)19-26-20(37(68)41(72)36(19)67)21-27-22(39(70)42(73)38(21)69)25(47(87-53(27)79)48(44)88-54(26)80)23-28-24-18-9(52(78)85-46(24)43(74)40(23)71)4-13(59)32(63)45(18)86-55(28)81/h1-4,14,25,44,47-48,56-74H,5H2 |
| SMILES |
O=C1OCC2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)c4c3C(=O)OC(C2OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O)C1OC(=O)c2c-4c(O)c(O)c(O)c2C1c1c(O)c(O)c2oc(=O)c3cc(O)c(O)c4oc(=O)c1c2c43 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Fagaceae | Castanea crenata  | Ref. |
|
|
zoom in
| Organism | Castanea crenata |
|---|
| Reference | Tanaka, T. et al., Chem. Pharm. Bull., 1997, 45, 1751-1755 (isol, pmr, cmr) |
|---|
|
