| Name |
Scaberoside Hd |
| Formula |
C73H116O38 |
| Mw |
1600.71445935 |
| CAS RN |
154971-86-5 |
| C_ID |
C00040247
, 
|
| InChIKey |
TZHCENNIWMSZMK-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C73H116O38/c1-25-38(80)42(84)46(88)63(101-25)106-53-33(78)24-100-66(57(53)110-64-50(92)55(51(26(2)102-64)104-59-43(85)39(81)29(74)20-96-59)108-62-48(90)52(32(77)23-99-62)105-60-44(86)40(82)30(75)21-97-60)111-67(95)73-17-16-68(3,4)18-28(73)27-10-11-35-70(7)14-13-37(69(5,6)34(70)12-15-71(35,8)72(27,9)19-36(73)79)103-65-49(91)54(47(89)56(109-65)58(93)94)107-61-45(87)41(83)31(76)22-98-61/h10,25-26,28-57,59-66,74-92H,11-24H2,1-9H3,(H,93,94)/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+,56-,57-,59+,60-,61+,62+,63+,64-,65-,66-,70-,71-,72+,73-/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[C@H]1[C@H]([C@H]([C@@H](CO1)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. |
|
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