| Name |
Tyrianthinic acid II
(-)-Tyrianthinic acid II |
| Formula |
C50H86O22 |
| Mw |
1038.56107443 |
| CAS RN |
1072159-03-5 |
| C_ID |
C00040599
, 
|
| InChIKey |
JOEODRFAFPATFF-ZSUAFSHQNA-N |
| InChICode |
InChI=1S/C50H86O22/c1-9-12-18-21-30(22-19-16-14-13-15-17-20-23-32(52)53)66-48-42(35(56)33(54)27(6)63-48)72-50-43(36(57)34(55)31(24-51)67-50)71-49-44(69-46(62)26(5)11-3)39(60)41(29(8)65-49)70-47-38(59)37(58)40(28(7)64-47)68-45(61)25(4)10-2/h10,26-31,33-44,47-51,54-60H,9,11-24H2,1-8H3,(H,52,53)/b25-10+/t26-,27-,28-,29+,30-,31-,33-,34-,35+,36+,37-,38-,39-,40-,41+,42-,43-,44-,47+,48+,49+,50+/m1/s1 |
| SMILES |
[C@H]1(O[C@@H]([C@H]([C@@H]([C@H]1O)O)OC(=O)/C(=C/C)/C)C)O[C@H]1[C@@H](O[C@H]([C@@H]([C@@H]1O)OC(=O)[C@@H](CC)C)O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)C)O[C@@H](CCCCCCCCCC(=O)O)CCCCC)CO)O)O)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Convolvulaceae | Ipomoea tyrianthina | Ref. |
|
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