| Name |
Abutiloside E
(-)-Abutiloside E |
| Formula |
C50H82O22 |
| Mw |
1034.52977431 |
| CAS RN |
270926-88-0 |
| C_ID |
C00032681
, 
|
| InChIKey |
XBEWXWDRJUIRLA-HRLZLASVNA-N |
| InChICode |
InChI=1S/C50H82O22/c1-20(18-65-45-41(63)37(59)36(58)31(16-51)69-45)6-9-28(53)21(2)33-29(54)15-27-25-8-7-23-14-24(10-12-49(23,4)26(25)11-13-50(27,33)5)68-47-42(64)39(61)43(32(17-52)70-47)71-48-44(38(60)34(56)22(3)67-48)72-46-40(62)35(57)30(55)19-66-46/h7,20-22,24-27,29-48,51-52,54-64H,6,8-19H2,1-5H3/t20-,21-,22+,24+,25-,26+,27+,29-,30-,31-,32-,33+,34+,35+,36-,37+,38-,39-,40-,41-,42-,43-,44-,45+,46+,47-,48+,49+,50+/m1/s1 |
| SMILES |
C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2(C1)C)CC[C@]1([C@H]3C[C@H]([C@@H]1[C@@H](C(=O)CC[C@@H](C)CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)O)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)CO |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Solanaceae | Solanum abutiloides | Ref. |
|
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