| Name |
Scaberoside Hi |
| Formula |
C74H118O39 |
| Mw |
1630.72502403 |
| CAS RN |
154971-90-1 |
| C_ID |
C00040251
, 
|
| InChIKey |
NHGJYOWWPQOPEY-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C74H118O39/c1-25-38(81)42(85)48(91)63(102-25)108-54-32(79)24-101-66(58(54)112-65-51(94)55(52(26(2)103-65)106-60-46(89)39(82)29(76)21-98-60)109-62-50(93)53(31(78)23-100-62)107-61-47(90)40(83)30(77)22-99-61)113-68(97)74-17-16-69(3,4)18-28(74)27-10-11-35-71(7)14-13-37(70(5,6)34(71)12-15-72(35,8)73(27,9)19-36(74)80)105-67-57(45(88)44(87)56(110-67)59(95)96)111-64-49(92)43(86)41(84)33(20-75)104-64/h10,25-26,28-58,60-67,75-94H,11-24H2,1-9H3,(H,95,96)/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-,58+,60+,61-,62-,63-,64+,65+,66-,67+,71+,72-,73-,74+/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@@H]1O[C@@H]([C@H]([C@H]([C@H]1O)O)O)CO)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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