3-O-tert-Butyl 5-O-[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-2-benzoyloxy-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-9-(2,2,2-trichloroethoxycarbonyloxy)-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] (4S,5R)-2,2-dimethyl-4-phenyl-1,3-oxaz

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C51H60Cl3NO17
Molecular Weight	1065.378
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-O-tert-Butyl 5-O-[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-2-benzoyloxy-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-9-(2,2,2-trichloroethoxycarbonyloxy)-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] (4S,5R)-2,2-dimethyl-4-phenyl-1,3-oxaz

Structure Search

SMILES

CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)C3=CC=CC=C3)[C@@H]4[C@@]5(CO[C@@H]5C[C@H](OC(=O)OCC(Cl)(Cl)Cl)[C@@]4(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@@H]6OC(C)(C)N([C@H]6C7=CC=CC=C7)C(=O)OC(C)(C)C

InChI

InChIKey=QTSBQWAZXIXUNK-WGIZYWROSA-N

InChI=1S/C51H60Cl3NO17/c1-26-31(67-42(60)37-35(29-18-14-12-15-19-29)55(47(9,10)71-37)43(61)72-45(4,5)6)23-50(63)40(69-41(59)30-20-16-13-17-21-30)38-48(11,39(58)36(66-27(2)56)34(26)46(50,7)8)32(68-44(62)65-25-51(52,53)54)22-33-49(38,24-64-33)70-28(3)57/h12-21,31-33,35-38,40,63H,22-25H2,1-11H3/t31-,32-,33+,35-,36+,37+,38-,40-,48+,49-,50+/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

3-O-tert-Butyl 5-O-[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-2-benzoyloxy-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-9-(2,2,2-trichloroethoxycarbonyloxy)-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] (4S,5R)-2,2-dimethyl-4-phenyl-1,3-oxaz

Common Name

English

3,5-Oxazolidinedicarboxylic acid, 2,2-dimethyl-4-phenyl-, 5-[(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(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-[[(2,2,2-trichloroethoxy)carbony

Preferred Name

English

3,5-Oxazolidinedicarboxylic acid, 2,2-dimethyl-4-phenyl-, 5-[6,12b-bis(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-[[(2,2,2-trichloroethoxy)carbonyl]oxy]-7,11-methano-1H-cyclodeca[3,4]

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID60675713

Created by admin on Wed Apr 02 17:31:20 GMT 2025 , Edited by admin on Wed Apr 02 17:31:20 GMT 2025

PRIMARY

CAS

143527-73-5

Created by admin on Wed Apr 02 17:31:20 GMT 2025 , Edited by admin on Wed Apr 02 17:31:20 GMT 2025

PRIMARY

FDA UNII

XS9LS7V2XC

Created by admin on Wed Apr 02 17:31:20 GMT 2025 , Edited by admin on Wed Apr 02 17:31:20 GMT 2025

PRIMARY

PUBCHEM

10920232

Created by admin on Wed Apr 02 17:31:20 GMT 2025 , Edited by admin on Wed Apr 02 17:31:20 GMT 2025

PRIMARY

SUBSTANCE RECORD


					XS9LS7V2XC

3-O-tert-Butyl 5-O-[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-2-benzoyloxy-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-9-(2,2,2-trichloroethoxycarbonyloxy)-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] (4S,5R)-2,2-dimethyl-4-phenyl-1,3-oxaz