| Name |
Scaberoside Hc1 |
| Formula |
C68H108O34 |
| Mw |
1468.6722006 |
| CAS RN |
150172-26-2 |
| C_ID |
C00040245
, 
|
| InChIKey |
OSKNAOORZZDWNO-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C68H108O34/c1-24-36(74)39(77)44(82)58(93-24)98-50-31(72)23-92-61(53(50)101-60-47(85)51(48(25(2)94-60)96-55-42(80)37(75)28(69)20-89-55)99-57-46(84)49(30(71)22-91-57)97-56-43(81)38(76)29(70)21-90-56)102-62(88)68-17-16-63(3,4)18-27(68)26-10-11-33-65(7)14-13-35(95-59-45(83)40(78)41(79)52(100-59)54(86)87)64(5,6)32(65)12-15-66(33,8)67(26,9)19-34(68)73/h10,24-25,27-53,55-61,69-85H,11-23H2,1-9H3,(H,86,87)/t24-,25-,27-,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-,55+,56-,57-,58+,59-,60+,61+,65-,66+,67-,68+/m1/s1 |
| SMILES |
C1[C@H]2[C@@](CCC1(C)C)([C@@H](C[C@@]1(C2=CC[C@@H]2[C@@]1(CC[C@@H]1[C@]2(CC[C@H](C1(C)C)O[C@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)C(=O)O)O)O)O)C)C)C)O)C(=O)O[C@@H]1OC[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](CO1)O)O[C@H]1OC[C@H]([C@H]([C@@H]1O)O)O)O)O[C@@H]1OC[C@H]([C@H]([C@H]1O)O)O)C)O[C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)C)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Aster scaber  | Ref. |
|
|
zoom in
|
