| Name |
[2'S,3'R,7'R(R),8R]-7'-Deoxo-2'-deoxy-2',3'-epoxy-8-hydroxy-7'-(1-hydroxyethyl)verrucarin A
Baccharinoid B 21 |
| Formula |
C29H38O10 |
| Mw |
546.24649744 |
| CAS RN |
105563-54-0 |
| C_ID |
C00012617
, 
|
| InChIKey |
BCQXBCNAYRSXNT-KQQUZDAGNA-N |
| InChICode |
InChI=1S/C29H38O10/c1-16-11-21-28(13-18(16)31)14-35-25(33)24-26(3,39-24)9-10-34-19(17(2)30)7-5-6-8-23(32)38-20-12-22(37-21)29(15-36-29)27(20,28)4/h5-8,11,17-22,24,30-31H,9-10,12-15H2,1-4H3/b7-5+,8-6+/t17-,18+,19+,20-,21-,22+,24-,26+,27+,28-,29+/m1/s1 |
| SMILES |
C\1=C/C=C/C(=O)O[C@H]2[C@]3([C@]4(COC(=O)[C@@H]5[C@@](CCO[C@@H]1[C@@H](C)O)(C)O5)[C@H](O[C@H]([C@]13CO1)C2)C=C([C@H](C4)O)C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Baccharis megapotamica | Ref. |
|
|
zoom in
|
