| Name |
1-Acetyl-10-deacetylbaccatin III |
| Formula |
C34H30Cl6O14 |
| Mw |
871.97667193 |
| CAS RN |
397250-04-3 |
| C_ID |
C00040778
, 
|
| InChIKey |
WZNMWZBNIJXUSJ-XGUVGBKFNA-N |
| InChICode |
InChI=1S/C34H30Cl6O14/c1-13-18-20(50-27(46)34(38,39)40)22(43)30(5)16(49-26(45)33(35,36)37)11-17-31(12-48-17,53-14(2)41)21(30)24(51-25(44)15-9-7-6-8-10-15)32(29(18,3)4)23(19(13)42)52-28(47)54-32/h6-10,16-17,20-21,23-24H,11-12H2,1-5H3/t16-,17+,20+,21-,23-,24-,30+,31-,32+/m0/s1 |
| SMILES |
[C@]123C(C(=C(C(=O)[C@@H]1OC(=O)O3)C)[C@H](C(=O)[C@]1([C@H]([C@@H]2OC(=O)c2ccccc2)[C@]2([C@@H](C[C@@H]1OC(=O)C(Cl)(Cl)Cl)OC2)OC(=O)C)C)OC(=O)C(Cl)(Cl)Cl)(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Taxaceae | Taxus canadensis | Ref. |
| Plantae | Taxaceae | Taxus media | Ref. |
|
|
zoom in
|
