| Name |
Frondoside A1 |
| Formula |
C60H96O29S |
| Mw |
1312.57579784 |
| CAS RN |
169219-21-0 |
| C_ID |
C00039230
, 
|
| InChIKey |
UHKUFLHMYURPLP-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C60H96O29S/c1-25(2)12-11-17-59(9)49-32(81-27(4)62)20-58(8)29-13-14-35-56(5,6)36(16-18-57(35,7)28(29)15-19-60(49,58)55(72)88-59)83-53-47(39(67)34(24-79-53)89-90(73,74)75)87-54-48(86-50-40(68)37(65)30(63)22-77-50)41(69)44(26(3)80-54)84-51-42(70)45(31(64)23-78-51)85-52-43(71)46(76-10)38(66)33(21-61)82-52/h13,25-26,28,30-54,61,63-71H,11-12,14-24H2,1-10H3,(H,73,74,75)/t26-,28+,30-,31+,32-,33+,34-,35-,36+,37-,38+,39-,40+,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52+,53+,54+,57-,58+,59-,60-/m1/s1 |
| SMILES |
C1[C@@H](C([C@@H]2[C@](C1)([C@@H]1C(=CC2)[C@]2([C@]3(CC1)[C@H]([C@@H](C2)OC(=O)C)[C@](OC3=O)(CCCC(C)C)C)C)C)(C)C)O[C@@H]1OC[C@H]([C@H]([C@H]1O[C@@H]1O[C@@H]([C@H]([C@H]([C@H]1O[C@H]1OC[C@H]([C@H]([C@@H]1O)O)O)O)O[C@@H]1[C@@H]([C@@H]([C@H](CO1)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)CO)O)OC)O)O)C)O)OS(=O)(=O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Animalia | Cucumariidae | Cucumaria okhotensis | Ref. |
|
|
zoom in
| Organism | Cucumaria okhotensis |
|---|
| Reference | Silchenko,J.Nat.Prod.,71,(2008),351 |
|---|
|
