| Name |
Acutanguloside E
(-)-Acutanguloside E |
| Formula |
C59H86O22 |
| Mw |
1146.56107443 |
| CAS RN |
849818-23-1 |
| C_ID |
C00042198
, 
|
| InChIKey |
PQWRZZBQEIVFHI-HBHBCDJJNA-N |
| InChICode |
InChI=1S/C59H86O22/c1-10-27(2)49(72)81-47-46(80-50(73)28-14-12-11-13-15-28)54(3,4)22-30-29-16-17-34-56(7)20-19-36(55(5,6)33(56)18-21-57(34,8)58(29,9)23-35(63)59(30,47)26-61)76-53-45(79-52-41(68)39(66)38(65)32(24-60)75-52)43(42(69)44(78-53)48(70)71)77-51-40(67)37(64)31(62)25-74-51/h10-16,30-47,51-53,60-69H,17-26H2,1-9H3,(H,70,71)/b27-10-/t30-,31+,32+,33-,34+,35+,36-,37-,38-,39-,40+,41+,42-,43-,44-,45+,46-,47-,51-,52-,53+,56-,57+,58+,59-/m0/s1 |
| SMILES |
C/C=C(/C)C(=O)O[C@H]1[C@H](OC(=O)c2ccccc2)C(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@]21CO |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Lecythidaceae | Barringtonia acutangula  | Ref. |
|
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