| Name |
Scaberoside Hc2 |
| Formula |
C68H108O34 |
| Mw |
1468.6722006 |
| CAS RN |
154971-85-4 |
| C_ID |
C00040246
, 
|
| InChIKey |
QWSOHMSQIAMCOI-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C68H108O34/c1-24-36(74)39(77)43(81)58(93-24)98-50-31(72)23-92-61(53(50)101-59-44(82)40(78)48(25(2)94-59)96-57-46(84)49(30(71)22-91-57)97-55-41(79)37(75)28(69)20-89-55)102-62(88)68-17-16-63(3,4)18-27(68)26-10-11-33-65(7)14-13-35(64(5,6)32(65)12-15-66(33,8)67(26,9)19-34(68)73)95-60-47(85)51(45(83)52(100-60)54(86)87)99-56-42(80)38(76)29(70)21-90-56/h10,24-25,27-53,55-61,69-85H,11-23H2,1-9H3,(H,86,87)/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+,55+,56-,57-,58-,59+,60-,61+,65-,66+,67-,68+/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](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)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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