| 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 |
C1[C@]2([C@H](C([C@H](C1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)C(=O)O)(C)C)CC[C@@]1([C@@H]2CC=C2[C@]1([C@H]([C@H]([C@@]1([C@H]2CC([C@H]([C@@H]1OC(=O)[C@H](C)CC)OC(=O)/C=C(/CCC=C(C)C)\C)(C)C)CO)O)O)C)C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Symplocaceae | Symplocos chinensis | Ref. |
|
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