| Name |
Castacrenin E |
| Formula |
C47H28O29 |
| Mw |
1056.07162494 |
| CAS RN |
200435-29-6 |
| C_ID |
C00055359
|
| InChIKey |
IPFQZCIOMMYBJU-UHFFFAOYSA-N |
| InChICode |
InChI=1S/C47H28O29/c48-10-2-7-15(29(56)25(10)52)16-8(3-11(49)26(53)30(16)57)44(68)73-36-14(5-71-42(7)66)72-43(67)9-4-12(50)27(54)31(58)17(9)19-21-20(33(60)35(62)32(19)59)22-24-46(70)74-38(39(36)75-45(21)69)23-18-6(41(64)65)1-13(51)28(55)37(18)76-47(23,24)40(63)34(22)61/h1-4,14,23-24,36,38-39,48-62H,5H2,(H,64,65) |
| SMILES |
O=C1C(C=C(O)C(O)=C2O)=C2C(C(O)=C(O)C(O)=C3)=C3C(OCC(OC4=O)C(C(C5OC(C(C(C6=C7C(C8=C4C=C(O)C(O)=C8O)=C(O)C(O)=C6O)=C(O)C9=O)C%109C5C%11=C(C(O)=C(O)C=C%11C(O)=O)O%10)=O)OC7=O)O1)=O |
| 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) |
|---|
|
