| Name |
Bigarcinenone A |
| Formula |
C56H62O13 |
| Mw |
942.41904207 |
| CAS RN |
1073496-49-7 |
| C_ID |
C00055557
|
| InChIKey |
DYGPCGKJBQDNNS-DHZYUKICSA-N |
| InChICode |
InChI=1S/C56H62O13/c1-25(2)13-12-14-29(9)18-22-33-31(20-16-27(5)6)39-47(62)41-35(58)23-34(57)40(51(41)68-53(39)50(65)46(33)61)44-43-37(67-55(44)56(10,11)66)24-36(59)42-48(63)38-30(19-15-26(3)4)32(21-17-28(7)8)45(60)49(64)54(38)69-52(42)43/h13,15-18,23-24,44,55,57-61,64-66H,12,14,19-22H2,1-11H3/b29-18+/t44?,55-/m0/s1 |
| SMILES |
OC1=C2C(C(C(C(O)=CC3=C4C(C5=C(OC(C(O)=C(O)C(C/C=C(C)/CC/C=C(C)/C)=C6C/C=C(C)/C)=C6C7=O)C7=C(O)C=C5O)[C@@H](C(C)(O)C)O3)=C4O2)=O)=C(C/C=C(C)/C)C(C/C=C(C)/C)=C1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Clusiaceae/Clusiaceae-Guttiferae | Garcinia xanthochymus  | Ref. |
|
|
zoom in
| Organism | Garcinia xanthochymus |
|---|
| Reference | Zhong, F.-F. et al., Helv. Chim. Acta, 2008, 91, 1695-1703 (isol, pmr, cmr, ms) |
|---|
|
