5-[(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-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] 3-(1,1-dimethylethyl) (4S,5R)-2,2-dimethyl-4-phenyl-3,5-oxazolidinedicarboxylate

CAS Registry Number®

143527-76-8
No image available.

CAS Name

5-[(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-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] 3-(1,1-dimethylethyl) (4S,5R)-2,2-dimethyl-4-phenyl-3,5-oxazolidinedicarboxylate

Molecular Formula

C52H59Cl6NO18

Molecular Mass

1198.74

Cite this Page

5-[(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-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] 3-(1,1-dimethylethyl) (4S,5R)-2,2-dimethyl-4-phenyl-3,5-oxazolidinedicarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=143527-76-8 (retrieved 2024-06-26) (CAS RN: 143527-76-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C52H59Cl6NO18/c1-26-30(71-41(63)36-34(28-17-13-11-14-18-28)59(47(8,9)76-36)42(64)77-45(3,4)5)22-50(67)39(74-40(62)29-19-15-12-16-20-29)37-48(10,38(61)35(33(26)46(50,6)7)73-44(66)70-25-52(56,57)58)31(72-43(65)69-24-51(53,54)55)21-32-49(37,23-68-32)75-27(2)60/h11-20,30-32,34-37,39,67H,21-25H2,1-10H3/t30-,31-,32+,34-,35+,36+,37-,39-,48+,49-,50+/m0/s1

InChIKey

InChIKey=LLLJXWNWAFHRTB-CHFAFVNJSA-N

SMILES

O(C(C)=O)[C@]12[C@@]3([C@@](C)([C@@H](OC(OCC(Cl)(Cl)Cl)=O)C[C@]1(OC2)[H])C(=O)[C@H](OC(OCC(Cl)(Cl)Cl)=O)C=4C(C)(C)[C@](O)([C@H]3OC(=O)C5=CC=CC=C5)C[C@H](OC(=O)[C@H]6[C@@H](N(C(OC(C)(C)C)=O)C(C)(C)O6)C7=CC=CC=C7)C4C)[H]

Canonical SMILES

O=C(OCC(Cl)(Cl)Cl)OC1C(=O)C2(C)C(OC(=O)OCC(Cl)(Cl)Cl)CC3OCC3(OC(=O)C)C2C(OC(=O)C=4C=CC=CC4)C5(O)CC(OC(=O)C6OC(N(C(=O)OC(C)(C)C)C6C=7C=CC=CC7)(C)C)C(=C1C5(C)C)C

Other Names for this Substance

  • 3,5-Oxazolidinedicarboxylic acid, 2,2-dimethyl-4-phenyl-, 5-[(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-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] 3-(1,1-dimethylethyl) ester, (4S,5R)-
  • 3,5-Oxazolidinedicarboxylic acid, 2,2-dimethyl-4-phenyl-, 5-[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] 3-(1,1-dimethylethyl) ester, [2aR-[2aα,4β,4aβ,6β,9α(4S*,5R*),11α,12α,12aα,12bα]]-
  • 7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete, 3,5-oxazolidinedicarboxylic acid deriv.
  • 5-[(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-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] 3-(1,1-dimethylethyl) (4S,5R)-2,2-dimethyl-4-phenyl-3,5-oxazolidinedicarboxylate

CAS INSIGHTSTM
Insights teaser
Insights teaser
Insights teaser
Insights teaser