| Name |
Spergulacin A |
| Formula |
C41H68O12 |
| Mw |
752.47107764 |
| CAS RN |
107602-90-4 |
| C_ID |
C00037836
, 
|
| InChIKey |
OSVTYUORXDHUAY-RWTMEOMRNA-N |
| InChICode |
InChI=1S/C41H68O12/c1-19-27(46)29(48)30(49)34(51-19)53-31-28(47)23(45)18-50-35(31)52-26-11-12-38(6)24(36(26,3)4)10-13-40(8)25(38)16-21(43)33-39(7)15-14-37(5,20(2)42)32(39)22(44)17-41(33,40)9/h19,21-35,43-49H,10-18H2,1-9H3/t19-,21+,22-,23-,24-,25+,26-,27-,28-,29+,30+,31-,32-,33+,34-,35+,37-,38-,39-,40+,41+/m0/s1 |
| SMILES |
[C@H]12[C@@]([C@@H]3[C@@](C[C@@H]1O)([C@]1([C@H](C[C@H]3O)[C@@]3([C@@H](CC1)C([C@H](CC3)O[C@@H]1[C@H]([C@H]([C@H](CO1)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)(C)C)C)C)C)(CC[C@]2(C(=O)C)C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Molluginaceae | Mollugo spergula  | Ref. |
|
|
zoom in
|
