CAS 160651-89-8 | Benzenepropanoic acid, α-hydroxy-β-[[(2-hydroxy-1,1-dimethylethoxy)carbonyl]amino]-, 12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-4,6-bis[[(2,2,2-trichloroethoxy)carbonyl]oxy]-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aα,4β,4aβ,6β,9α(αR*,βS*),11α,12α,12aα,12bα]]- (9CI) | CAS Number 160651-89-8

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160651-89-8 | Benzenepropanoic acid, α-hydroxy-β-[[(2-hydroxy-1,1-dimethylethoxy)carbonyl]amino]-, 12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-4,6-bis[[(2,2,2-trichloroethoxy)carbonyl]oxy]-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aα,4β,4aβ,6β,9α(αR,βS),11α,12α,12aα,12bα]]- (9CI)

CAS No: 160651-89-8 Catalog No: AG001S3G MDL No:

Product Description

Catalog Number:

AG001S3G

Chemical Name:

Benzenepropanoic acid, α-hydroxy-β-[[(2-hydroxy-1,1-dimethylethoxy)carbonyl]amino]-, 12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-4,6-bis[[(2,2,2-trichloroethoxy)carbonyl]oxy]-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aα,4β,4aβ,6β,9α(αR*,βS*),11α,12α,12aα,12bα]]- (9CI)

CAS Number:

160651-89-8

Molecular Formula:

C49H55Cl6NO19

Molecular Weight:

1174.6743

IUPAC Name:

[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-9,12-bis[[2-chloro-2-(chloro-λ3-chloranylidene)ethoxy]carbonyloxy]-1-hydroxy-15-[(2R,3S)-2-hydroxy-3-[(1-hydroxy-2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate

InChI:

InChI=1S/C49H55Cl6NO19/c1-24-28(70-41(62)35(59)34(26-14-10-8-11-15-26)56-42(63)75-45(3,4)22-57)19-49(66)39(73-40(61)27-16-12-9-13-17-27)37-47(7,38(60)36(33(24)46(49,5)6)72-44(65)68-21-32(51)55-53)29(71-43(64)67-20-31(50)54-52)18-30-48(37,23-69-30)74-25(2)58/h8-17,28-30,34-37,39,57,59,66H,18-23H2,1-7H3,(H,56,63)/t28-,29-,30+,34-,35+,36+,37-,39-,47+,48-,49+/m0/s1

InChI Key:

LONRMLYHJPPIEB-MIXGCZKZSA-N

SMILES:

Cl/[Cl]=C(/COC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](OC(=O)OC/C(=[Cl]/Cl)/Cl)C[C@@H]3[C@]([C@H]2[C@@H]([C@]2(C(C1=C(C)[C@@H](OC(=O)[C@@H]([C@H](c1ccccc1)NC(=O)OC(CO)(C)C)O)C2)(C)C)O)OC(=O)c1ccccc1)(CO3)OC(=O)C)\Cl