| Name |
Scaberoside Ha |
| Formula |
C53H84O22 |
| Mw |
1072.54542437 |
| CAS RN |
150172-23-9 |
| C_ID |
C00040242
, 
|
| InChIKey |
MRAQSMMDVCFYKP-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C53H84O22/c1-21-30(56)32(58)36(62)43(69-21)72-39-25(54)20-68-46(41(39)74-44-37(63)33(59)31(57)22(2)70-44)75-47(67)53-17-16-48(3,4)18-24(53)23-10-11-27-50(7)14-13-29(71-45-38(64)34(60)35(61)40(73-45)42(65)66)49(5,6)26(50)12-15-51(27,8)52(23,9)19-28(53)55/h10,21-22,24-41,43-46,54-64H,11-20H2,1-9H3,(H,65,66)/t21-,22-,24+,25-,26-,27-,28-,29+,30+,31-,32-,33+,34-,35+,36+,37-,38+,39-,40-,41+,43-,44+,45+,46-,50-,51+,52+,53-/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)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
|
