| Name |
Junceoside A |
| Formula |
C70H110O36 |
| Mw |
1526.67767991 |
| CAS RN |
393085-14-8 |
| C_ID |
C00046053
, 
|
| InChIKey |
PFUFFPUNGJHEMP-XHQLFPSZNA-N |
| InChICode |
InChI=1S/C70H110O36/c1-25-36(76)43(83)54(104-61-49(89)52(102-60-47(87)42(82)40(80)32(21-72)98-60)50(26(2)96-61)100-57-44(84)37(77)29(74)22-93-57)62(95-25)106-64(92)70-17-15-65(3,4)19-28(70)27-9-10-34-66(5)13-12-35(67(6,24-73)33(66)11-14-69(34,8)68(27,7)16-18-70)99-63-55(105-58-45(85)38(78)30(75)23-94-58)51(48(88)53(103-63)56(90)91)101-59-46(86)41(81)39(79)31(20-71)97-59/h9,24-26,28-55,57-63,71-72,74-89H,10-23H2,1-8H3,(H,90,91)/t25-,26+,28+,29-,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-,57+,58+,59+,60+,61+,62+,63-,66+,67+,68-,69-,70+/m1/s1 |
| SMILES |
[C@H]1([C@@H]([C@H]([C@@H](O[C@@H]1CO)O[C@H]1[C@H](O)[C@H](O[C@H]([C@@H]1O[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O)O)O[C@H]1CC[C@]2([C@@H]([C@]1(C)C=O)CC[C@@]1([C@@H]2CC=C2[C@]1(CC[C@@]1([C@H]2CC(CC1)(C)C)C(=O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O[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)C)O)O)C)C)C)C)C(=O)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Caryophyllaceae | Arenaria juncea | Ref. |
|
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