| Name |
Ternstroemiaside D
(-)-Ternstroemiaside D |
| Formula |
C60H98O29 |
| Mw |
1282.61937717 |
| CAS RN |
625081-43-8 |
| C_ID |
C00045103
, 
|
| InChIKey |
LFZNECDOJAMMRE-RHPPSDSONA-N |
| InChICode |
InChI=1S/C60H98O29/c1-22-31(64)35(68)40(73)51(81-22)88-45-38(71)34(67)27(20-63)84-53(45)86-43-42(75)44(49(78)79)87-54(46(43)89-52-41(74)37(70)33(66)26(19-62)83-52)85-30-12-13-57(6)28(56(30,4)5)11-14-58(7)29(57)10-9-23-24-17-55(2,3)15-16-60(24,48(77)47(76)59(23,58)8)21-80-50-39(72)36(69)32(65)25(18-61)82-50/h9,22,24-48,50-54,61-77H,10-21H2,1-8H3,(H,78,79)/t22-,24-,25+,26+,27+,28-,29+,30-,31-,32+,33+,34-,35+,36-,37-,38-,39+,40+,41+,42-,43-,44-,45+,46+,47-,48+,50+,51-,52-,53?,54?,57-,58+,59-,60+/m0/s1 |
| SMILES |
C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](C(=O)O)O[C@@H](O[C@H]4CC[C@]5(C)[C@H]6CC=C7[C@@H]8CC(C)(C)CC[C@]8(CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H](O)[C@@]7(C)[C@]6(C)CC[C@H]5C4(C)C)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@H](CO)[C@H](O)[C@@H]2O)[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. |
|
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