| Name |
Acanthophylloside C |
| Formula |
C92H146O53 |
| Mw |
2098.87292964 |
| CAS RN |
57579-58-5 |
| C_ID |
C00038346
, 
|
| InChIKey |
DMFZWPGLOKFXKC-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C92H146O53/c1-29-44(100)50(106)57(113)79(128-29)141-71-62(118)67(137-80-61(117)54(110)66(30(2)129-80)136-77-64(120)69(36(99)25-125-77)139-78-65(121)68(35(98)26-126-78)138-75-55(111)45(101)34(97)24-124-75)31(3)130-84(71)145-86(123)92-18-16-87(4,5)20-33(92)32-10-11-42-88(6)14-13-43(89(7,28-96)41(88)12-15-91(42,9)90(32,8)17-19-92)135-85-72(142-82-59(115)52(108)47(103)38(22-94)132-82)63(119)70(73(143-85)74(122)144-83-60(116)53(109)48(104)39(23-95)133-83)140-76-56(112)49(105)40(27-127-76)134-81-58(114)51(107)46(102)37(21-93)131-81/h10,28-31,33-73,75-85,93-95,97-121H,11-27H2,1-9H3/t29-,30-,31-,33-,34+,35+,36-,37-,38+,39-,40+,41+,42+,43-,44-,45+,46-,47+,48+,49+,50-,51+,52-,53+,54-,55+,56+,57+,58+,59-,60+,61+,62+,63+,64+,65+,66+,67-,68+,69-,70-,71-,72-,73-,75-,76+,77+,78+,79-,80-,81+,82+,83-,84-,85-,88+,89-,90+,91-,92-/m1/s1 |
| SMILES |
CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(=O)OC8OC(CO)C(O)C(O)C8O)C(OC8OCC(OC9OC(CO)C(O)C(O)C9O)C(O)C8O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(C=O)C6CCC5(C)C3(C)CC4)OC(C)C(OC3OC(C)C(OC4OCC(O)C(OC5OCC(O)C(OC6OCC(O)C(O)C6O)C5O)C4O)C(O)C3O)C2O)C(O)C(O)C1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Caryophyllaceae | Acanthophyllum gypsophiloides | Ref. |
| Plantae | Caryophyllaceae | Acanthophyllum gypsophiloydes | Ref. |
|
|
zoom in
| Organism | Acanthophyllum gypsophiloides |
|---|
| Reference | Tan,Phytochem.,52,(1999),153 |
|---|
|
