Name |
Cerberoside |
Formula |
C42H66O18 |
Mw |
858.42491531 |
CAS RN |
11005-70-2 |
C_ID |
C00003610
,
|
InChIKey |
GZVMBXDQUQRICT-ORISORTBNA-N |
InChICode |
InChI=1S/C42H66O18/c1-18-35(60-38-33(50)31(48)29(46)26(59-38)17-55-37-32(49)30(47)28(45)25(15-43)58-37)36(53-4)34(51)39(56-18)57-21-7-10-40(2)20(14-21)5-6-24-23(40)8-11-41(3)22(9-12-42(24,41)52)19-13-27(44)54-16-19/h13,18,20-26,28-39,43,45-52H,5-12,14-17H2,1-4H3/t18-,20-,21+,22-,23+,24-,25-,26-,28+,29+,30-,31+,32-,33-,34-,35+,36-,37-,38+,39-,40+,41-,42+/m1/s1 |
SMILES |
C1[C@@H](C[C@@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@@]2([C@](CC1)([C@H](CC2)C1=CC(=O)OC1)C)O)C)O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)C)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)CO)O)O)O)O)O)O)OC)O |
Start Substs in Alk. Biosynthesis (Prediction) |
|
Organism |
Kingdom |
Family |
Species |
Reference |
Plantae | Apocynaceae | Cerbera odollam | Ref. |
Plantae | Apocynaceae | Thevetia neriifolia | Ref. |
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zoom in
Organism | Cerbera odollam | Reference | Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter55 |
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