| Name |
Scaberoside Hf |
| Formula |
C64H102O31 |
| Mw |
1366.64050655 |
| CAS RN |
154971-87-6 |
| C_ID |
C00040248
, 
|
| InChIKey |
GAUMOZMDHNAQLR-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C64H102O31/c1-23-34(69)37(72)41(76)53(86-23)91-47-28(67)22-85-57(50(47)94-54-43(78)39(74)46(24(2)87-54)90-52-40(75)35(70)27(66)21-84-52)95-58(83)64-17-16-59(3,4)18-26(64)25-10-11-31-61(7)14-13-33(60(5,6)30(61)12-15-62(31,8)63(25,9)19-32(64)68)89-56-45(80)48(44(79)49(93-56)51(81)82)92-55-42(77)38(73)36(71)29(20-65)88-55/h10,23-24,26-50,52-57,65-80H,11-22H2,1-9H3,(H,81,82)/t23-,24+,26-,27+,28+,29-,30-,31-,32-,33-,34+,35+,36-,37-,38-,39+,40+,41+,42+,43-,44+,45-,46+,47+,48-,49+,50-,52-,53-,54+,55+,56+,57+,61+,62+,63-,64+/m0/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[C@@H]1[C@@H]([C@H]([C@H]([C@@H](O1)CO)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@@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. |
|
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