| Name |
13-Dehydroxybaccatin III |
| Formula |
C31H38O10 |
| Mw |
570.24649744 |
| CAS RN |
155588-14-0 |
| C_ID |
C00042051
, 
|
| InChIKey |
HTYBVUUABCJHBA-LEKVMHRXNA-N |
| InChICode |
InChI=1S/C31H38O10/c1-16-12-13-31(37)26(40-27(36)19-10-8-7-9-11-19)24-29(6,20(34)14-21-30(24,15-38-21)41-18(3)33)25(35)23(39-17(2)32)22(16)28(31,4)5/h7-11,20-21,23-24,26,34,37H,12-15H2,1-6H3/t20-,21+,23+,24-,26-,29+,30-,31+/m0/s1 |
| SMILES |
CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@H]([C@H](OC(=O)c3ccccc3)[C@]3(O)CCC(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Taxaceae | Taxus chinensis | Ref. |
|
|
zoom in
|
