| Name |
Thornasteroside A |
| Formula |
C56H92O28S |
| Mw |
1244.54958309 |
| CAS RN |
67849-63-2 |
| C_ID |
C00045109
, 
|
| InChIKey |
FBHHBSPWVXPYPG-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C56H92O28S/c1-21(2)15-25(58)18-56(8,70)34-10-9-28-27-17-31(30-16-26(84-85(71,72)73)11-13-54(30,6)29(27)12-14-55(28,34)7)78-51-45(69)46(37(61)24(5)77-51)81-52-47(82-49-43(67)40(64)35(59)22(3)75-49)39(63)33(20-74-52)80-53-48(42(66)38(62)32(19-57)79-53)83-50-44(68)41(65)36(60)23(4)76-50/h12,21-24,26-28,30-53,57,59-70H,9-11,13-20H2,1-8H3,(H,71,72,73)/t22-,23-,24-,26+,27-,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+,55-,56-/m1/s1 |
| SMILES |
CC(C)CC(=O)CC(C)(O)C1CCC2C3CC(OC4OC(C)C(O)C(OC5OCC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(O)C5OC5OC(C)C(O)C(O)C5O)C4O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC21C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Animalia | Luidiidae | Luidia quinaria | Ref. |
|
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