| Name |
[2'S,3S,3'R,7'R(R)]-7'-Deoxo-2'-deoxy-2',3'-epoxy-3-hydroxy-7'-(1-hydroxyethyl)verrucarin A
Baccharinoid B 12 |
| Formula |
C29H38O10 |
| Mw |
546.24649744 |
| CAS RN |
105563-53-9 |
| C_ID |
C00012618
, 
|
| InChIKey |
VYIKPARQGCJZRA-KQQUZDAGNA-N |
| InChICode |
InChI=1S/C29H38O10/c1-16-9-10-28-14-35-25(33)24-26(3,39-24)11-12-34-18(17(2)30)7-5-6-8-20(31)38-22-21(32)23(37-19(28)13-16)29(15-36-29)27(22,28)4/h5-8,13,17-19,21-24,30,32H,9-12,14-15H2,1-4H3/b7-5+,8-6+/t17-,18+,19-,21+,22-,23+,24+,26+,27+,28-,29+/m0/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)[C@@H]2O)C=C(CC4)C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Baccharis megapotamica | Ref. |
|
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