| Name |
Spergulacin
(-)-Spergulacin |
| Formula |
C41H56O12 |
| Mw |
740.37717725 |
| CAS RN |
104720-12-9 |
| C_ID |
C00037835
, 
|
| InChIKey |
MANGRJWRZAVDAV-DRUVLDMQNA-N |
| InChICode |
InChI=1S/C41H68O12/c1-19-27(46)28(47)29(48)35(51-19)53-31-23(45)18-50-34(30(31)49)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 |
CC(=O)[C@]1(C)CC[C@@]2(C)[C@H]1[C@@H](O)C[C@]1(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]3(C)CC[C@H](OC4OC[C@@H](O)[C@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]21C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Molluginaceae | Mollugo spergula  | Ref. |
|
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