| Name |
Celahinine A |
| Formula |
C53H53NO18 |
| Mw |
991.3262639 |
| CAS RN |
172889-43-9 |
| C_ID |
C00028014
, 
|
| InChIKey |
XUNSLSCXXHEUHR-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C53H53NO18/c1-28-29(2)45(58)69-42-40(67-32(5)57)44(71-48(61)35-22-15-10-16-23-35)52(27-64-30(3)55)43(70-47(60)34-20-13-9-14-21-34)39(66-31(4)56)37-41(68-46(59)33-18-11-8-12-19-33)53(52,51(42,7)63)72-50(37,6)26-65-49(62)36-24-17-25-54-38(28)36/h8-25,28-29,37,39-44,63H,26-27H2,1-7H3/t28-,29-,37+,39+,40+,41+,42-,43-,44-,50-,51-,52+,53-/m0/s1 |
| SMILES |
[C@H]1(OC(=O)c2ccccc2)[C@]23[C@]([C@@H]4[C@H]([C@@H]([C@]2([C@H]([C@@H]([C@H]1[C@@](O3)(COC(=O)c1c(nccc1)[C@H]([C@@H](C(=O)O4)C)C)C)OC(=O)C)OC(=O)c1ccccc1)COC(=O)C)OC(=O)c1ccccc1)OC(=O)C)(O)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Asp L-His |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Celastraceae | Celastrus hindsii | Ref. |
|
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