| Name |
Ternstroemiaside E
(-)-Ternstroemiaside E |
| Formula |
C62H100O29 |
| Mw |
1308.63502724 |
| CAS RN |
625081-44-9 |
| C_ID |
C00045104
, 
|
| InChIKey |
RYHNQWOFRCJVGC-XZUINHLBNA-N |
| InChICode |
InChI=1S/C62H100O29/c1-24-35(67)39(71)44(76)53(82-24)90-49-42(74)38(70)30(22-65)86-55(49)88-47-46(78)48(51(79)80)89-56(50(47)91-54-45(77)41(73)37(69)29(21-64)85-54)87-33-13-14-59(7)31(58(33,5)6)12-15-60(8)32(59)11-10-26-27-18-57(3,4)16-17-62(27,34(83-25(2)66)19-61(26,60)9)23-81-52-43(75)40(72)36(68)28(20-63)84-52/h10,24,27-50,52-56,63-65,67-78H,11-23H2,1-9H3,(H,79,80)/t24-,27-,28+,29+,30+,31-,32+,33-,34+,35-,36+,37+,38-,39+,40-,41-,42-,43+,44+,45+,46-,47-,48-,49+,50+,52+,53-,54-,55-,56+,59-,60+,61+,62+/m0/s1 |
| SMILES |
CC(=O)O[C@@H]1C[C@]2(C)C(=CC[C@@H]3[C@@]4(C)CC[C@H](O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(C)(C)[C@@H]4CC[C@]32C)[C@@H]2CC(C)(C)CC[C@]12CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Theaceae/Pentaphylacaceae/Ternstroemiaceae | Ternstroemia japonica | Ref. |
| - | - | Ternstromia japonica | Ref. |
|
|
zoom in
|
