| Name |
Isocyclamin |
| Formula |
C58H94O27 |
| Mw |
1222.5982478 |
| CAS RN |
121395-85-5 |
| C_ID |
C00050123
, 
|
| InChIKey |
OPQUPAIXWBVUBV-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C58H94O27/c1-52(2)29-7-11-55(5)30(8-12-58-31-15-53(3,22-61)13-14-57(31,23-78-58)32(63)16-56(55,58)6)54(29,4)10-9-33(52)83-50-45(85-49-44(74)40(70)36(66)26(18-60)80-49)38(68)28(21-77-50)82-51-46(84-48-42(72)34(64)24(62)19-75-48)41(71)37(67)27(81-51)20-76-47-43(73)39(69)35(65)25(17-59)79-47/h22,24-51,59-60,62-74H,7-21,23H2,1-6H3/t24-,25+,26-,27+,28+,29-,30-,31-,32-,33-,34-,35+,36+,37+,38+,39-,40+,41-,42-,43+,44-,45+,46-,47+,48-,49+,50-,51+,53+,54-,55-,56-,57+,58-/m0/s1 |
| SMILES |
C1[C@@H](C([C@H]2[C@](C1)([C@H]1[C@](CC2)([C@]2([C@]3(CC1)[C@@H]1[C@@]([C@H](C2)O)(CC[C@@](C1)(C)C=O)CO3)C)C)C)(C)C)O[C@H]1[C@@H]([C@@H]([C@@H](CO1)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O[C@H]1[C@H]([C@H]([C@H](CO1)O)O)O)O)O[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)CO)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Myrsinaceae | Cyclamen mirabile | Ref. |
|
|
zoom in
| Organism | Cyclamen mirabile |
|---|
| Reference | Calis,J.Nat.Prod.,60,(1997),315 |
|---|
|
