| Name |
Acutanguloside D methyl ester
(-)-Acutanguloside D methyl ester |
| Formula |
C62H86O22 |
| Mw |
1182.56107443 |
| CAS RN |
849637-45-2 |
| C_ID |
C00042197
, 
|
| InChIKey |
XORMZKXGUQJUIB-BPOIFZEUNA-N |
| InChICode |
InChI=1S/C62H86O22/c1-57(2)25-33-32-19-20-37-59(5)23-22-39(79-56-48(82-55-44(71)42(69)41(68)35(27-63)78-55)46(45(72)47(81-56)53(75)76-8)80-54-43(70)40(67)34(65)28-77-54)58(3,4)36(59)21-24-60(37,6)61(32,7)26-38(66)62(33,29-64)50(84-52(74)31-17-13-10-14-18-31)49(57)83-51(73)30-15-11-9-12-16-30/h9-19,33-50,54-56,63-72H,20-29H2,1-8H3/t33-,34+,35+,36-,37+,38+,39-,40-,41+,42-,43+,44+,45-,46-,47-,48+,49-,50-,54-,55-,56+,59-,60+,61+,62-/m0/s1 |
| SMILES |
C1[C@]2([C@H](C([C@H](C1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)C(=O)OC)(C)C)CC[C@@]1([C@@H]2CC=C2[C@]1(C[C@H]([C@@]1([C@H]2CC([C@H]([C@@H]1OC(=O)c1ccccc1)OC(=O)c1ccccc1)(C)C)CO)O)C)C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Lecythidaceae | Barringtonia acutangula  | Ref. |
|
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