| Name |
Curassavioside J1 |
| Formula |
C54H82O19 |
| Mw |
1034.54503044 |
| CAS RN |
1035606-34-8 |
| C_ID |
C00030055
, 
|
| InChIKey |
VUVPXXMCGKWUBI-OZLXPWQZNA-N |
| InChICode |
InChI=1S/C54H82O19/c1-27-45(58)37(63-8)24-43(65-27)71-47-29(3)67-42(23-36(47)57)73-48-30(4)68-44(25-38(48)64-9)72-46-28(2)66-41(22-35(46)56)69-34-16-17-50(6)33(21-34)15-18-53(61)39(50)26-40(70-49(59)32-13-11-10-12-14-32)51(7)52(60,31(5)55)19-20-54(51,53)62/h10-15,27-31,34-48,55-58,60-62H,16-26H2,1-9H3/t27-,28-,29-,30-,31+,34+,35+,36-,37+,38-,39-,40-,41+,42+,43+,44+,45-,46-,47-,48-,50+,51-,52-,53+,54-/m1/s1 |
| SMILES |
C1[C@@H](CC2=CC[C@@]3([C@@H]([C@]2(C1)C)C[C@H]([C@]1([C@@]3(CC[C@@]1(O)[C@H](C)O)O)C)OC(=O)c1ccccc1)O)O[C@@H]1O[C@@H]([C@H]([C@H](C1)O)O[C@H]1C[C@H]([C@@H]([C@H](O1)C)O[C@@H]1O[C@@H]([C@H]([C@@H](C1)O)O[C@H]1C[C@@H]([C@@H]([C@H](O1)C)O)OC)C)OC)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apocynaceae | Asclepias curassavica  | Ref. |
|
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