| Name |
Pectenotoxin 2 |
| Formula |
C47H70O14 |
| Mw |
858.47655695 |
| CAS RN |
97564-91-5 |
| C_ID |
C00057718
|
| InChIKey |
PTKFEDGHUVZLPL-BEWHKPRSSA-N |
| InChICode |
InChI=1S/C47H70O14/c1-26-10-11-32-34(22-37(54-32)47(52)39(49)28(3)14-20-53-47)55-41(51)29(4)31-9-8-15-45(56-31)17-12-33(57-45)40(50)44(7)24-30(48)38(60-44)35-25-43(6)18-19-46(58-35,61-43)36-13-16-42(5,59-36)23-27(2)21-26/h10-11,21,27-29,31-40,49-50,52H,8-9,12-20,22-25H2,1-7H3/b11-10-,26-21-/t27-,28+,29+,31-,32+,33-,34+,35-,36-,37-,38+,39+,40-,42-,43-,44-,45+,46-,47+/m0/s1 |
| SMILES |
CC1=C/[C@H](C)C[C@]2(C)CC[C@H](O2)[C@@]23CC[C@@](C)(C[C@H](O2)[C@@H]2O[C@@](C)(CC2=O)[C@@H](O)[C@@H]2CC[C@@]4(CCC[C@H](O4)[C@@H](C)C(=O)O[C@@H]4C[C@@H]([C@@]5(O)OCC[C@@H](C)[C@H]5O)O[C@@H]4C=C/1)O2)O3 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Dinophysis acuminata | Ref. |
|
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zoom in
| Organism | Dinophysis acuminata |
|---|
| Reference | Yasumoto, T. et al., Tetrahedron, 1985, 41, 1019-1025 (isol, cryst struct, spectra) |
|---|
|
