| Name |
Tieghemelin
(-)-Tieghemelin |
| Formula |
C58H92O29 |
| Mw |
1252.57242698 |
| CAS RN |
479072-94-1 |
| C_ID |
C00046462
, 
|
| InChIKey |
QXLGWIOGISQPDB-NEIGXGEINA-N |
| InChICode |
InChI=1S/C58H92O29/c1-20-30(65)32(67)36(71)48(80-20)83-41-27(63)18-78-47(39(41)74)82-40-21(2)81-49(38(73)35(40)70)85-43-31(66)26(62)17-79-51(43)87-52(77)58-12-11-53(3,4)13-23(58)22-9-10-28-54(5)14-25(61)45(86-50-37(72)33(68)34(69)42(84-50)46(75)76)55(6,19-59)44(54)24(60)15-57(28,8)56(22,7)16-29(58)64/h9,20-21,23-45,47-51,59-74H,10-19H2,1-8H3,(H,75,76)/t20-,21-,23-,24+,25-,26+,27+,28+,29+,30-,31+,32+,33-,34-,35+,36+,37+,38+,39+,40-,41-,42-,43+,44+,45-,47-,48-,49-,50-,51-,54+,55-,56+,57+,58+/m0/s1 |
| SMILES |
[C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1C(=O)O)O[C@H]1[C@@H](O)C[C@]2([C@H]([C@]1(C)CO)[C@@H](C[C@@]1([C@@H]2CC=C2[C@]1(C[C@H]([C@@]1([C@H]2CC(CC1)(C)C)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]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)C)O)O)O)C)C)O)C)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Sapotaceae | Tieghemella heckelii | Ref. |
|
|
zoom in
| Organism | Tieghemella heckelii |
|---|
| Reference | Gosse,J.Nat.Prod.,65,(2002),1942 |
|---|
|
