| Name |
Spergulin A
(+)-Spergulin A |
| Formula |
C35H58O11S |
| Mw |
686.36998343 |
| CAS RN |
403740-06-7 |
| C_ID |
C00037837
, 
|
| InChIKey |
JSYXOTDTFUFIKN-CWYNTDBTNA-N |
| InChICode |
InChI=1S/C35H58O11S/c1-18(36)31(4)13-14-33(6)27(31)20(38)16-35(8)28(33)19(37)15-23-32(5)11-10-24(30(2,3)22(32)9-12-34(23,35)7)45-29-25(40)26(21(39)17-44-29)46-47(41,42)43/h19-29,37-40H,9-17H2,1-8H3,(H,41,42,43)/t19-,20+,21+,22+,23-,24+,25+,26-,27+,28-,29+,31+,32+,33+,34-,35-/m1/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)OS(=O)(=O)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
|
