Catalog Number:
AG007WC1
Chemical Name:
(2aR,4S,4aS,9S,11S,12S,12aR,12bS)-12b-(Acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5,6-dioxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl (αR,βS)-β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxybenzenepropanoate
CAS Number:
167074-97-7
Molecular Formula:
C43H51NO14
Molecular Weight:
805.8633
MDL Number:
MFCD00935992
IUPAC Name:
[(1S,2S,3R,4S,7R,9S,10S,15S)-4-acetyloxy-1,9-dihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11,12-dioxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
InChI:
InChI=1S/C43H51NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30,32-33,35,46,48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,32+,33-,35-,41+,42-,43+/m0/s1
InChI Key:
ZOLQDWANVNOXBK-YYCGEXIESA-N
SMILES:
CC(=O)O[C@@]12CO[C@@H]1C[C@@H]([C@@]1([C@@H]2C(OC(=O)c2ccccc2)[C@]2(O)CC(OC(=O)C([C@H](c3ccccc3)NC(=O)OC(C)(C)C)O)C(=C(C2(C)C)C(=O)C1=O)C)C)O
UNII:
VB305F5FMZ
