| Name |
Symplocososide S
(-)-Symplocososide S |
| Formula |
C57H90O19 |
| Mw |
1078.60763069 |
| CAS RN |
918300-76-2 |
| C_ID |
C00041910
, 
|
| InChIKey |
ORGUHEZYVWCXQM-ZESGEPBFNA-N |
| InChICode |
InChI=1S/C57H90O19/c1-13-29(5)49(70)76-47-46(73-36(60)23-28(4)16-14-15-27(2)3)52(6,7)24-31-30-17-18-34-54(10)21-20-35(53(8,9)33(54)19-22-55(34,11)56(30,12)44(66)45(67)57(31,47)26-59)72-51-43(40(64)39(63)42(74-51)48(68)69)75-50-41(65)38(62)37(61)32(25-58)71-50/h15,17,23,29,31-35,37-47,50-51,58-59,61-67H,13-14,16,18-22,24-26H2,1-12H3,(H,68,69)/b28-23+/t29-,31+,32-,33+,34-,35+,37-,38+,39+,40+,41-,42+,43-,44+,45-,46+,47+,50+,51-,54+,55-,56+,57+/m1/s1 |
| SMILES |
CCC(C)C(=O)O[C@H]1[C@H](OC(=O)/C=C(C)CCC=C(C)C)C(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)[C@@H](O)[C@@H](O)[C@]21CO |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Symplocaceae | Symplocos chinensis | Ref. |
|
|
zoom in
|
