N-debenzoyl-(3'-RS)-2'-deoxytaxol
Chemical Formula:
C40H48NO12
Molecular Weight:
734.819 Daltons
Monoisotopic Mass:
734.3176510111999 Daltons
SMILES:
CC4(C(OC(CC([N+])C1(C=CC=CC=1))=O)CC3(O)(C(OC(C2(C=CC=CC=2))=O)[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/C40H47NO12/c1-21-27(51-30(45)17-26(41)24-13-9-7-10-14-24)19-40(48)35(52-36(47)25-15-11-8-12-16-25)33-38(6,28(44)18-29-39(33,20-49-29)53-23(3)43)34(46)32(50-22(2)42)31(21)37(40,4)5/h7-16,26-29,32-33,35,44,48H,17-20,41H2,1-6H3/p+1/t26-,27+,28+,29-,32-,33+,35+,38-,39+,40-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-12845
PubChem (CID):
90658665
Seed:
cpd23608
MetaNetX:
MNXM164954