| Name |
Pescaprein XIII
(-)-Pescaprein XIII |
| Formula |
C69H110O25 |
| Mw |
1338.73361907 |
| CAS RN |
1100362-79-5 |
| C_ID |
C00039964
, 
|
| InChIKey |
CNKPNDZCSAWLFA-ZZDJXBBLNA-N |
| InChICode |
InChI=1S/C69H110O25/c1-10-12-14-15-17-21-29-35-47(71)89-63-62(94-65-53(77)51(75)49(73)39(5)81-65)58(92-68-61(88-48(72)37-36-44-30-25-23-26-31-44)54(78)56(41(7)84-68)90-64(80)38(3)4)43(9)85-69(63)91-57-42(8)83-66-55(79)59(57)87-46(70)34-28-22-19-16-18-20-27-33-45(32-24-13-11-2)86-67-60(93-66)52(76)50(74)40(6)82-67/h23,25-26,30-31,36-43,45,49-63,65-69,73-79H,10-22,24,27-29,32-35H2,1-9H3/b37-36+/t39-,40+,41-,42-,43-,45-,49-,50-,51+,52-,53+,54+,55+,56-,57-,58-,59-,60+,61+,62+,63+,65-,66-,67-,68-,69-/m0/s1 |
| SMILES |
CCCCCCCCCC(=O)O[C@H]1[C@H](O[C@H]2[C@H](C)O[C@H]3O[C@H]4[C@H](O[C@@H](CCCCC)CCCCCCCCCC(=O)O[C@H]2C3O)O[C@H](C)[C@H](O)[C@@H]4O)O[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](OC(=O)C(C)C)[C@@H](O)[C@H]2OC(=O)/C=C/c2ccccc2)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Convolvulaceae | Ipomoea pes-caprae  | Ref. |
|
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