| Name |
Ternstroemiaside B
(-)-Ternstroemiaside B |
| Formula |
C56H90O25 |
| Mw |
1162.57711843 |
| CAS RN |
625081-41-6 |
| C_ID |
C00045101
, 
|
| InChIKey |
UFGDSAMBCUDNSI-LIPKOLDANA-N |
| InChICode |
InChI=1S/C56H90O25/c1-22-33(62)36(65)39(68)47(73-22)80-44-38(67)35(64)27(20-58)76-49(44)78-42-41(70)43(46(71)72)79-50(45(42)81-48-40(69)37(66)34(63)26(19-57)75-48)77-31-13-14-53(7)28(52(31,5)6)12-15-54(8)29(53)11-10-24-25-16-51(3,4)17-30(61)56(25,21-59)32(74-23(2)60)18-55(24,54)9/h10,22,25-45,47-50,57-59,61-70H,11-21H2,1-9H3,(H,71,72)/t22-,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+,53-,54+,55+,56+/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)C[C@H](O)[C@]12CO |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Theaceae/Pentaphylacaceae/Ternstroemiaceae | Ternstroemia japonica | Ref. |
| - | - | Ternstromia japonica | Ref. |
|
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