input word = C00046580

Metabolite InformationStructural formula
Name 2'-Acetyl-epi-taxol
(-)-2'-Acetyl-epi-taxol
Formula C49H53NO15
Mw 895.34152003
CAS RN 172586-62-8
C_ID C00046580 ,
InChIKey IHVCSECZNFZVKP-AEQNXJOONA-N
InChICode InChI=1S/C49H53NO15/c1-26-33(63-45(58)39(62-28(3)52)37(30-17-11-8-12-18-30)50-43(56)31-19-13-9-14-20-31)24-49(59)42(64-44(57)32-21-15-10-16-22-32)40-47(7,34(54)23-35-48(40,25-60-35)65-29(4)53)41(55)38(61-27(2)51)36(26)46(49,5)6/h8-22,33-35,37-40,42,54,59H,23-25H2,1-7H3,(H,50,56)/t33-,34-,35-,37+,38-,39-,40+,42+,47-,48+,49-/m1/s1
SMILES C(=O)(N[C@@H](c1ccccc1)[C@H](C(=O)O[C@@H]1C[C@@]2(C(C(=C1C)[C@H](C(=O)[C@]1([C@@H]([C@]3([C@@H](C[C@H]1O)OC3)OC(=O)C)[C@@H]2OC(=O)c1ccccc1)C)OC(=O)C)(C)C)O)OC(=O)C)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus canadensis Ref.
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OrganismTaxus canadensis
ReferenceZhang,J.Nat.Prod.,63,(2000),929