| Name |
[2'R,7'R(S),8R]-7'-Deoxo-8-hydroxy-7'-(1-hydroxyethyl)verrucarin A
Baccharin B 3
Baccharinoid B 3
Isobaccharisol |
| Formula |
C29H40O10 |
| Mw |
548.2621475 |
| CAS RN |
72074-16-9 |
| C_ID |
C00012585
, 
|
| InChIKey |
GVZIONLFUHXCGG-KQQUZDAGNA-N |
| InChICode |
InChI=1S/C29H40O10/c1-16-9-10-35-20(18(3)30)7-5-6-8-24(32)39-21-12-23-29(15-37-29)27(21,4)28(14-36-26(34)25(16)33)13-19(31)17(2)11-22(28)38-23/h5-8,11,16,18-23,25,30-31,33H,9-10,12-15H2,1-4H3/b7-5+,8-6+/t16-,18-,19+,20+,21+,22-,23-,25+,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]([C@H](CCO[C@H]1[C@@H](O)C)C)O)[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. |
|
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