| Name |
Lancemaside E
(-)-Lancemaside E |
| Formula |
C63H100O31 |
| Mw |
1352.62485648 |
| CAS RN |
1039450-80-0 |
| C_ID |
C00030632
, 
|
| InChIKey |
UBQNIALOTUBOSI-FHAHDYSVNA-N |
| InChICode |
InChI=1S/C63H100O31/c1-23-45(89-52-43(78)46(28(67)22-84-52)90-51-39(74)34(69)26(65)20-83-51)38(73)41(76)53(86-23)93-49-35(70)27(66)21-85-56(49)94-57(82)63-16-15-58(2,3)17-25(63)24-9-10-31-60(6)13-12-33(59(4,5)30(60)11-14-61(31,7)62(24,8)18-32(63)68)88-55-44(79)47(42(77)48(92-55)50(80)81)91-54-40(75)37(72)36(71)29(19-64)87-54/h9,23,25-49,51-56,64-79H,10-22H2,1-8H3,(H,80,81)/t23-,25-,26+,27+,28+,29+,30-,31+,32+,33-,34-,35+,36+,37-,38-,39+,40+,41+,42-,43+,44+,45-,46-,47-,48-,49+,51-,52-,53-,54-,55+,56-,60-,61+,62+,63+/m0/s1 |
| SMILES |
C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@]([C@@H](C2)O)(CCC(C1)(C)C)C(=O)O[C@@H]1OC[C@H]([C@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)O)O)O)O)C)C)C)(C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)C(=O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Campanulaceae/Lobeliaceae | Codonopsis lanceolata  | Ref. |
|
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