| Name |
Copteroside E |
| Formula |
C52H82O22 |
| Mw |
1058.52977431 |
| CAS RN |
86438-29-1 |
| C_ID |
C00038831
, 
|
| InChIKey |
MRVBXEAPIBCACK-GABPEEEYNA-N |
| InChICode |
InChI=1S/C52H82O22/c1-48(2)16-22-21(23(17-48)43(66)74-46-37(62)34(59)33(58)27(18-53)69-46)10-14-51(6)24(22)8-9-29-50(5)13-12-30(49(3,4)28(50)11-15-52(29,51)7)70-47-40(72-45-36(61)32(57)26(55)20-68-45)38(63)39(41(73-47)42(64)65)71-44-35(60)31(56)25(54)19-67-44/h8,21-23,25-41,44-47,53-63H,9-20H2,1-7H3,(H,64,65)/t21-,22+,23+,25+,26+,27+,28-,29+,30-,31-,32-,33+,34-,35+,36+,37+,38-,39-,40+,41-,44-,45-,46-,47+,50-,51+,52+/m0/s1 |
| SMILES |
C1(C[C@H]([C@@H]2[C@@H](C1)C1=CC[C@H]3[C@]([C@@]1(CC2)C)(CC[C@@H]1[C@@]3(CC[C@@H](C1(C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)C(=O)O)C)C)C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Chenopodiaceae | Climacoptera transoxana | Ref. |
|
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