| Name |
Vaalens 5
[3R-[3alpha,5beta(E),5aalpha,6alpha,9beta,9aalpha,10R*]]-10-(Acetyloxy)octahydro-9-hydroxy-6-[(hydroxyacetyl)oxy]-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-5-yl ester 3-phenyl-2-propenoic acid |
| Formula |
C28H36O9 |
| Mw |
516.23593275 |
| CAS RN |
125458-59-5 |
| C_ID |
C00013174
, 
|
| InChIKey |
ZBLCWCJBUVYIBX-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C28H36O9/c1-17(30)34-24-19-15-21(36-22(31)12-11-18-9-7-6-8-10-18)27(5)20(35-23(32)16-29)13-14-26(4,33)28(24,27)37-25(19,2)3/h6-12,19-21,24,29,33H,13-16H2,1-5H3/b12-11-/t19-,20-,21+,24+,26-,27-,28+/m1/s1 |
| SMILES |
CC(=O)OC1C2CC(OC(=O)C=Cc3ccccc3)C3(C)C(OC(=O)CO)CCC(C)(O)C13OC2(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Celastraceae | Catha transvaalensis | Ref. |
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