| Name |
Camelliasaponin A1 |
| Formula |
C58H92O25 |
| Mw |
1188.59276849 |
| CAS RN |
183020-18-0 |
| C_ID |
C00029888
, 
|
| InChIKey |
KTCJGPRMIOCILW-GEVHCHGKNA-N |
| InChICode |
InChI=1S/C58H92O25/c1-10-24(2)48(74)78-34-19-53(3,4)17-26-25-11-12-31-55(7)15-14-33(54(5,6)30(55)13-16-56(31,8)57(25,9)18-32(63)58(26,34)23-61)79-52-46(83-50-41(70)39(68)37(66)29(21-60)77-50)43(42(71)44(81-52)47(72)73)80-51-45(35(64)27(62)22-75-51)82-49-40(69)38(67)36(65)28(20-59)76-49/h10-11,26-46,49-52,59-71H,12-23H2,1-9H3,(H,72,73)/b24-10-/t26-,27-,28+,29+,30-,31+,32+,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43-,44-,45+,46+,49-,50-,51-,52+,55-,56+,57+,58-/m0/s1 |
| SMILES |
C1(C[C@@H]([C@]2([C@@H](C1)C1=CC[C@H]3[C@]([C@@]1(C[C@H]2O)C)(CC[C@@H]1[C@@]3(CC[C@@H](C1(C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)C(=O)O)C)C)CO)OC(=O)/C(=C\C)/C)(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Theaceae | Camellia japonica  | Ref. |
|
|
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