| Name |
Junceoside B |
| Formula |
C69H108O35 |
| Mw |
1496.66711523 |
| CAS RN |
393085-15-9 |
| C_ID |
C00046054
, 
|
| InChIKey |
NBIUVHXRBIWFRQ-YLIASKMANA-N |
| InChICode |
InChI=1S/C69H108O35/c1-25-36(75)41(80)53(102-59-46(85)42(81)49(26(2)95-59)98-58-48(87)50(31(74)23-93-58)99-56-43(82)37(76)29(72)21-91-56)61(94-25)104-63(90)69-17-15-64(3,4)19-28(69)27-9-10-34-65(5)13-12-35(66(6,24-71)33(65)11-14-68(34,8)67(27,7)16-18-69)97-62-54(103-57-44(83)38(77)30(73)22-92-57)51(47(86)52(101-62)55(88)89)100-60-45(84)40(79)39(78)32(20-70)96-60/h9,24-26,28-54,56-62,70,72-87H,10-23H2,1-8H3,(H,88,89)/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-,56+,57+,58+,59+,60+,61+,62-,65+,66+,67-,68-,69+/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)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)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. |
|
|
zoom in
|
