| Name |
[2'E,7'R(S)]-2',3'-Didehydro-7'-deoxo-2'-deoxy-4'-hydroxy-7'-(1-hydroxyethyl)-8-oxo-verrucarin A
Baccharinoid B 27 |
| Formula |
C29H36O10 |
| Mw |
544.23084737 |
| CAS RN |
105563-58-4 |
| C_ID |
C00012591
, 
|
| InChIKey |
ZNCDQMHTUVOBJI-SIBWDUHQNA-N |
| InChICode |
InChI=1S/C29H36O10/c1-16-9-23-28(12-19(16)31)14-36-26(34)10-17(2)20(32)13-35-21(18(3)30)7-5-6-8-25(33)39-22-11-24(38-23)29(15-37-29)27(22,28)4/h5-10,18,20-24,30,32H,11-15H2,1-4H3/b7-5+,8-6+,17-10+/t18-,20+,21+,22-,23-,24+,27+,28-,29-/m0/s1 |
| SMILES |
C\1=C/C=C/C(=O)O[C@@H]2[C@@]3([C@@]4(COC(=O)/C=C(/[C@@H](CO[C@H]1[C@@H](O)C)O)\C)[C@@H](O[C@@H]([C@]13CO1)C2)C=C(C(=O)C4)C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Baccharis megapotamica | Ref. |
|
|
zoom in
|
