Milataxel

Product Specifications

CAS Number

393101-41-2

Synonyms

(αR,βR)β-[[(1,1-Dimethylethoxy)carbonyl]amino]-α-hydroxy-2-furanpropanoic acid, (2aR,4S,4aS,6R,9S,11S,12S,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-6,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-4-(1-oxopropoxy)-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl Ester; MAC 321

Hazard Statement

No Data Available

Smiles

O[C@H](C1=C(C)[C@@H](OC([C@H](O)[C@@H](NC(OC(C)(C)C)=O)C2=CC=CO2)=O)C[C@]([C@@H](OC(C3=CC=CC=C3)=O)[C@@]4([H])[C@@]5(C)[C@@H](OC(CC)=O)C[C@@H]6[C@@]4(OC(C)=O)CO6)(O)C1(C)C)C5=O

Molecular Formula

C44H55NO16

Molecular Weight

853.9

InChI

InChI=1S/C44H55NO16/c1-10-29(47)58-27-19-28-43(21-56-28,60-23(3)46)34-36(59-37(51)24-15-12-11-13-16-24)44(54)20-26(22(2)30(41(44,7)8)32(48)35(50)42(27,34)9)57-38(52)33(49)31(25-17-14-18-55-25)45-39(53)61-40(4,5)6/h11-18,26-28,31-34,36,48-49,54H,10,19-21H2,1-9H3,(H,45,53)/t26-,27-,28+,31-,32+,33+,34-,36-,42+,43-,44+/m0/s1

Additionnal Information

IUPAC name: (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-9-(((2R,3R)-3-((tert-butoxycarbonyl)amino)-3-(furan-2-yl)-2-hydroxypropanoyl)oxy)-6,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-4-(propionyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl benzoate