| Name |
Acutanguloside A
(-)-Acutanguloside A |
| Formula |
C58H86O22 |
| Mw |
1134.56107443 |
| CAS RN |
849818-06-0 |
| C_ID |
C00042193
, 
|
| InChIKey |
QWBPMBCNZGRNJF-CRNNYGMPNA-N |
| InChICode |
InChI=1S/C58H86O22/c1-26(2)48(71)80-46-45(79-49(72)27-13-11-10-12-14-27)53(3,4)21-29-28-15-16-33-55(7)19-18-35(54(5,6)32(55)17-20-56(33,8)57(28,9)22-34(62)58(29,46)25-60)75-52-44(78-51-40(67)38(65)37(64)31(23-59)74-51)42(41(68)43(77-52)47(69)70)76-50-39(66)36(63)30(61)24-73-50/h10-15,26,29-46,50-52,59-68H,16-25H2,1-9H3,(H,69,70)/t29-,30+,31+,32-,33+,34+,35-,36-,37-,38-,39+,40+,41-,42-,43-,44+,45-,46-,50-,51-,52+,55-,56+,57+,58-/m0/s1 |
| SMILES |
CC(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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