| Name |
Scaberoside Hg |
| Formula |
C69H110O35 |
| Mw |
1498.68276529 |
| CAS RN |
154971-88-7 |
| C_ID |
C00040249
, 
|
| InChIKey |
BZALPGTWNIALAP-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C69H110O35/c1-24-36(75)39(78)43(82)58(94-24)100-51-30(73)23-93-62(54(51)103-59-45(84)41(80)49(25(2)95-59)98-57-47(86)50(29(72)22-92-57)99-56-42(81)37(76)28(71)21-91-56)104-63(90)69-17-16-64(3,4)18-27(69)26-10-11-33-66(7)14-13-35(65(5,6)32(66)12-15-67(33,8)68(26,9)19-34(69)74)97-61-48(87)52(46(85)53(102-61)55(88)89)101-60-44(83)40(79)38(77)31(20-70)96-60/h10,24-25,27-54,56-62,70-87H,11-23H2,1-9H3,(H,88,89)/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-,54-,56+,57-,58+,59+,60+,61-,62+,66-,67+,68-,69+/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[C@@H]1[C@@H]([C@@H]([C@@H](CO1)O)O)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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