| Name |
Phytolaccoside D2 |
| Formula |
C42H66O15 |
| Mw |
810.44017144 |
| CAS RN |
111199-24-7 |
| C_ID |
C00056851
|
| InChIKey |
CTWMGJMDAUJZDO-WVSWJLCWSA-N |
| InChICode |
InChI=1S/C42H66O15/c1-37(36(52)53-6)13-15-42(35(50)51)16-14-40(4)21(22(42)17-37)7-8-26-38(2)11-10-27(39(3,20-44)25(38)9-12-41(26,40)5)56-34-32(28(46)23(45)19-54-34)57-33-31(49)30(48)29(47)24(18-43)55-33/h7,22-34,43-49H,8-20H2,1-6H3,(H,50,51)/t22-,23+,24+,25+,26+,27-,28-,29-,30-,31+,32+,33-,34-,37-,38-,39-,40+,41+,42-/m0/s1 |
| SMILES |
C[C@@]1(CC[C@@]2(CC[C@]3([C@@]4(CC[C@]5([C@](CO)([C@H](CC[C@@]5([C@]4(CC=C3[C@@]2(C1)[H])[H])C)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)C)[H])C)C)C(O)=O)C(OC)=O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Phytolaccaceae | Phytolacca americana  | Ref. |
|
|
zoom in
| Organism | Phytolacca americana |
|---|
| Reference | Johnson, A. et al., Tetrahedron, 1974, 30, 2033-2036 (Phytolaccinic acid) |
|---|
|
