| Name |
Neosappanone A |
| Formula |
C33H28O11 |
| Mw |
600.16316174 |
| CAS RN |
805230-22-2 |
| C_ID |
C00032068
, 
|
| InChIKey |
NDKORKDCFMXLKU-GKMUSGJONA-N |
| InChICode |
InChI=1S/C33H28O11/c1-42-29-31(41)11-16-5-23(37)25(39)8-20(16)33(29)12-18(21(35)9-27(33)44-14-31)28-30(40)10-15-4-22(36)24(38)7-19(15)32(28)3-2-17(34)6-26(32)43-13-30/h2-9,12,28-29,36-41H,10-11,13-14H2,1H3/t28-,29?,30-,31-,32+,33?/m1/s1 |
| SMILES |
C1(=C[C@@]23[C@@H](OC)[C@@](Cc4c2cc(c(c4)O)O)(COC3=CC1=O)O)[C@@H]1[C@]2(Cc3c([C@]41C(=CC(=O)C=C4)OC2)cc(c(c3)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Fabaceae | Caesalpinia sappan  | Ref. |
|
|
zoom in
| Organism | Caesalpinia sappan |
|---|
| Reference | Nguyen,Chem.Pharm.Bull.,53,(2005),984 |
|---|
|
