N-debenzoyl-(3'-RS)-taxol

<i>N</i>-debenzoyl-(3'-<i>RS</i>)-taxol




Chemical Formula:
C40H48NO13
Molecular Weight:
750.818 Daltons
Monoisotopic Mass:
750.3125656333 Daltons
SMILES:
CC4(C(OC(=O)C(O)C([N+])C1(=CC=CC=C1))CC3(O)(C(OC(=O)C2(C=CC=CC=2))[CH]5(C(C)(C(=O)C(OC(C)=O)C(C(C)(C)3)=4)C(O)CC6(OCC(OC(=O)C)56))))
InChI:
1S/C40H47NO13/c1-20-25(52-36(48)30(45)29(41)23-13-9-7-10-14-23)18-40(49)34(53-35(47)24-15-11-8-12-16-24)32-38(6,26(44)17-27-39(32,19-50-27)54-22(3)43)33(46)31(51-21(2)42)28(20)37(40,4)5/h7-16,25-27,29-32,34,44-45,49H,17-19,41H2,1-6H3/p+1/t25-,26-,27+,29-,30+,31+,32-,34-,38+,39-,40+/m0/s1
InChIKey:
DLACRDONFBNRSP-KWIOUIIFSA-O

Synonyms
  • 3'-N-debenzoyltaxol
  • 13-O-3-phenylisoserinoyl baccatin III
  • 3'-N-debenzoyl-taxol

Databases
MetaCyc:  CPD-9203
RefMet:  3'-N-debenzoyltaxol
ChEBI:  63863
PubChem (CID):  56927985
MetaboLights:  MTBLC63862
KEGG:  C16524
Seed:  cpd16339
MetaNetX:  MNXM3067