| Name |
Acutanguloside B
(+)-Acutanguloside B |
| Formula |
C56H82O22 |
| Mw |
1106.52977431 |
| CAS RN |
849818-09-3 |
| C_ID |
C00042194
, 
|
| InChIKey |
XEFSHKFWGCEWAD-PHCCBPIMNA-N |
| InChICode |
InChI=1S/C56H82O22/c1-25(59)72-45-44(78-47(70)26-12-10-9-11-13-26)51(2,3)20-28-27-14-15-32-53(6)18-17-34(52(4,5)31(53)16-19-54(32,7)55(27,8)21-33(61)56(28,45)24-58)74-50-43(77-49-39(66)37(64)36(63)30(22-57)73-49)41(40(67)42(76-50)46(68)69)75-48-38(65)35(62)29(60)23-71-48/h9-14,28-45,48-50,57-58,60-67H,15-24H2,1-8H3,(H,68,69)/t28-,29+,30+,31+,32+,33+,34-,35-,36-,37-,38+,39+,40-,41-,42+,43+,44+,45+,48-,49-,50+,53-,54+,55+,56-/m0/s1 |
| SMILES |
CC(=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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