| Name |
Verbesinoside A
(+)-Verbesinoside A |
| Formula |
C56H82O21 |
| Mw |
1090.53485968 |
| CAS RN |
1162659-62-2 |
| C_ID |
C00047608
, 
|
| InChIKey |
GCZSPLWJXTWMPZ-VKIRZGKHNA-N |
| InChICode |
InChI=1S/C56H82O21/c1-51(2)20-28-27-10-11-35-53(5)14-13-36(76-49-45(41(62)39(60)32(22-57)73-49)77-48-43(64)40(61)33(24-72-48)74-47-42(63)38(59)29(58)23-71-47)52(3,4)34(53)12-15-54(35,6)56(27)19-26(56)18-55(28,50(66)67)21-37(51)75-46(65)25-16-30(68-7)44(70-9)31(17-25)69-8/h10,16-17,26,28-29,32-43,45,47-49,57-64H,11-15,18-24H2,1-9H3,(H,66,67)/t26?,28-,29+,32+,33+,34-,35+,36-,37-,38-,39+,40-,41-,42+,43+,45+,47-,48-,49-,53-,54+,55+,56+/m0/s1 |
| SMILES |
COc1cc(C(=O)O[C@H]2C[C@]3(C(=O)O)C[C@@H]4C[C@]45C(=CC[C@@H]4[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]7OC[C@@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)C(C)(C)[C@@H]6CC[C@]45C)[C@@H]3CC2(C)C)cc(OC)c1OC |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Verbesina virginica | Ref. |
|
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