| Name |
Breynin D
(-)-Breynin D |
| Formula |
C40H56O23S |
| Mw |
936.29330883 |
| CAS RN |
942228-25-3 |
| C_ID |
C00038642
, 
|
| InChIKey |
AXXVIFVEPZSWNX-BNSPPBRINA-N |
| InChICode |
InChI=1S/C40H56O23S/c1-13-11-55-39(9-19(13)58-34(51)16-4-6-17(42)7-5-16)38(52)40(53)22(43)8-18-21(12-64(54)32(18)33(40)63-39)60-37-31(27(48)24(45)15(3)57-37)62-36-29(50)30(25(46)20(10-41)59-36)61-35-28(49)26(47)23(44)14(2)56-35/h4-7,13-15,18-33,35-37,41-50,53H,8-12H2,1-3H3/t13-,14+,15-,18-,19+,20-,21+,22+,23+,24-,25-,26-,27+,28-,29-,30+,31-,32+,33-,35+,36+,37+,39+,40-,64-/m1/s1 |
| SMILES |
C[C@@H]1CO[C@@]2(C[C@@H]1OC(=O)c1ccc(O)cc1)O[C@@H]1[C@@H]3[C@H](C[C@H](O)[C@]1(O)C2=O)[C@@H](O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H]1O)CS3=O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Phyllanthaceae | Breynia fruticosa  | Ref. |
|
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