| Name |
Celangulin |
| Formula |
C32H40O14 |
| Mw |
648.24180599 |
| CAS RN |
116159-73-0 |
| C_ID |
C00013131
, 
|
| InChIKey |
SIEZSHWOPJNWFA-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C32H40O14/c1-16(33)40-15-31-25(43-19(4)36)22(41-17(2)34)14-30(8,39)32(31)26(44-20(5)37)23(29(6,7)46-32)24(42-18(3)35)27(31)45-28(38)21-12-10-9-11-13-21/h9-13,22-27,39H,14-15H2,1-8H3/t22-,23-,24+,25+,26+,27-,30-,31+,32+/m0/s1 |
| SMILES |
O1[C@@]23[C@@]([C@H]([C@@H]([C@H](C1(C)C)[C@H]3OC(=O)C)OC(=O)C)OC(=O)c1ccccc1)([C@@H]([C@H](C[C@]2(C)O)OC(=O)C)OC(=O)C)COC(=O)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Celastraceae | Celastrus angulatus  | Ref. |
|
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