| Name |
Squarroside A |
| Formula |
C71H110O36 |
| Mw |
1538.67767991 |
| CAS RN |
152574-91-9 |
| C_ID |
C00040369
, 
|
| InChIKey |
HXYTVNHXQDFALL-MMJIJQLBNA-N |
| InChICode |
InChI=1S/C71H110O36/c1-26-50(101-58-44(84)38(78)31(76)23-93-58)43(83)48(88)60(95-26)106-56-54(104-61-46(86)41(81)34(22-73)99-61)51(97-28(3)75)27(2)96-63(56)107-65(92)71-18-16-66(4,5)20-30(71)29-10-11-36-67(6)14-13-37(68(7,25-74)35(67)12-15-70(36,9)69(29,8)17-19-71)100-64-55(105-62-47(87)42(82)40(80)33(21-72)98-62)52(49(89)53(103-64)57(90)91)102-59-45(85)39(79)32(77)24-94-59/h10,25-27,30-56,58-64,72-73,76-89H,11-24H2,1-9H3,(H,90,91)/t26-,27+,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+,58-,59-,60-,61-,62-,63-,64+,67-,68-,69+,70+,71-/m0/s1 |
| SMILES |
C1[C@@H]([C@@]([C@@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CCC(C1)(C)C)C(=O)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)C)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](O1)CO)O)O)OC(=O)C)C)C)C)C)(C)C=O)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[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)C(=O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Caryophyllaceae | Acanthophyllum squarrosum | Ref. |
|
|
zoom in
| Organism | Acanthophyllum squarrosum |
|---|
| Reference | Tan,Phytochem.,52,(1999),153 |
|---|
|
