| Name |
1-Deoxypaclitaxel |
| Formula |
C47H53NO11 |
| Mw |
807.36186154 |
| CAS RN |
444307-70-4 |
| C_ID |
C00041253
, 
|
| InChIKey |
MNAUVCDKUSULBP-CURFHAOKNA-N |
| InChICode |
InChI=1S/C47H53NO11/c1-27-34(57-44(54)39(51)38(30-16-10-7-11-17-30)48-42(52)31-18-12-8-13-19-31)24-33-40(58-43(53)32-20-14-9-15-21-32)41-46(6,23-22-36-47(41,26-55-36)59-29(3)50)25-35(56-28(2)49)37(27)45(33,4)5/h7-21,33-36,38-41,51H,22-26H2,1-6H3,(H,48,52)/t33-,34-,35-,36+,38-,39+,40+,41-,46-,47-/m0/s1 |
| SMILES |
CC(=O)O[C@H]1C[C@]2(C)CC[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@@H]2C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Asp L-His |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Taxaceae | Taxus mairei  | Ref. |
|
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