| Name |
Acutanguloside E methyl ester
(-)-Acutanguloside E methyl ester |
| Formula |
C60H88O22 |
| Mw |
1160.5767245 |
| CAS RN |
849637-46-3 |
| C_ID |
C00042199
, 
|
| InChIKey |
LAINZEBBVSDNRB-CKJWPGPCNA-N |
| InChICode |
InChI=1S/C60H88O22/c1-11-28(2)49(71)82-48-47(81-50(72)29-15-13-12-14-16-29)55(3,4)23-31-30-17-18-35-57(7)21-20-37(56(5,6)34(57)19-22-58(35,8)59(30,9)24-36(64)60(31,48)27-62)77-54-46(80-53-42(69)40(67)39(66)33(25-61)76-53)44(43(70)45(79-54)51(73)74-10)78-52-41(68)38(65)32(63)26-75-52/h11-17,31-48,52-54,61-70H,18-27H2,1-10H3/b28-11-/t31-,32+,33+,34-,35+,36+,37-,38-,39+,40-,41+,42+,43-,44-,45-,46+,47-,48-,52-,53-,54+,57-,58+,59+,60-/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)OC)[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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