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N-debenzoyl-(3'-RS)-2'-deoxytaxol

PropertiesImageOccurences in reactions
MNX_IDMNXM3066Image of MNXM3066
#reac
in my sandbox 0
in MNXref (generic)9
in models (compartimentalized) 0
formulaC40H48NO12
charge1
mass734.80866
referencemetacycM:CPD-12845
InChIKeyYNAFMBLTFSPCAE-RVJKEIMSSA-O
InChIInChI=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
SMILESCC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)C[C@@H]([NH3+])c1ccccc1
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Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
metacyc.compound:CPD-12845
metacycM:CPD-12845
seed.compound:cpd23608
seedM:cpd23608
N-debenzoyl-(3'-RS)-2'-deoxytaxol
seed.compound:cpd16338
seedM:cpd16338
kegg.compound:C16523
keggC:C16523
3'-N-Debenzoyl-2'-deoxytaxol
13-O-beta-Phenylalanoylbaccatin III
beta-Phenylalanoyl baccatin III
CHEBI:79186
chebi:79186
3'-N-debenzoyl-2'-deoxytaxol
(1R)-3-{[(2alpha,3xi,5beta,7beta,10beta,13alpha)-4,10-diacetoxy-2-(benzoyloxy)-1,7-dihydroxy-9-oxo-5,20-epoxytax-11-en-13-yl]oxy}-3-oxo-1-phenylpropan-1-aminium
3'-N-debenzoyl-2'-deoxytaxol(1+)
CHEBI:74030
chebi:74030
3'-N-debenzoyl-2'-deoxytaxol
(2alpha,3xi,5beta,7beta,10beta,13alpha)-4,10-bis(acetyloxy)-13-{[(3R)-3-amino-3-phenylpropanoyl]oxy}-1,7-dihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate
13-O-beta-Phenylalanoylbaccatin III
beta-Phenylalanoyl baccatin III
keggC:M_C16523
seedM:M_cpd16338
seedM:M_cpd23608
secondary/obsolete/fantasy identifier