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Details

Stereochemistry ABSOLUTE
Molecular Formula C60H61Cl3N4O15S
Molecular Weight 1216.568
Optical Activity ( + )
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Propen-1-yl (6S,6aR,7R,13S,14R,16R)-14-cyano-6,6a,7,13,14,16-hexahydro-5,6-dihydroxy-9-methoxy-4,10-dimethyl-16-[[(2R)-1-oxo-2-[[(2,2,2-trichloroethoxy)carbonyl]amino]-3-[[tris(4-methoxyphenyl)methyl]thio]propoxy]methyl]-8-(2-propen-1-yloxy)-7,13-imino

SMILES

COC1=CC=C(C=C1)C(SC[C@H](NC(=O)OCC(Cl)(Cl)Cl)C(=O)OC[C@@H]2N3[C@@H](C#N)[C@@H]4CC5=CC(C)=C(OC)C(OCC=C)=C5[C@H]([C@@H]3[C@@H](O)C6=C(O)C(C)=C7OCOC7=C26)N4C(=O)OCC=C)(C8=CC=C(OC)C=C8)C9=CC=C(OC)C=C9

InChI

InChIKey=SCFWFJQNIFYBTN-UNNBXSNMSA-N
InChI=1S/C60H61Cl3N4O15S/c1-9-23-77-54-45-34(25-32(3)52(54)76-8)26-42-43(27-64)66-44(46-47(50(68)33(4)53-55(46)82-31-81-53)51(69)49(66)48(45)67(42)58(72)78-24-10-2)28-79-56(70)41(65-57(71)80-30-59(61,62)63)29-83-60(35-11-17-38(73-5)18-12-35,36-13-19-39(74-6)20-14-36)37-15-21-40(75-7)22-16-37/h9-22,25,41-44,48-49,51,68-69H,1-2,23-24,26,28-31H2,3-8H3,(H,65,71)/t41-,42-,43-,44-,48+,49+,51-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
7,13-Imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocine-17-carboxylic acid, 14-cyano-6,6a,7,13,14,16-hexahydro-5,6-dihydroxy-9-methoxy-4,10-dimethyl-16-[[(2R)-1-oxo-2-[[(2,2,2-trichloroethoxy)carbonyl]amino]-3-[[tris(4-methoxyphenyl)methyl]thio]prop
Preferred Name English
2-Propen-1-yl (6S,6aR,7R,13S,14R,16R)-14-cyano-6,6a,7,13,14,16-hexahydro-5,6-dihydroxy-9-methoxy-4,10-dimethyl-16-[[(2R)-1-oxo-2-[[(2,2,2-trichloroethoxy)carbonyl]amino]-3-[[tris(4-methoxyphenyl)methyl]thio]propoxy]methyl]-8-(2-propen-1-yloxy)-7,13-imino
Systematic Name English
Code System Code Type Description
CAS
874758-69-7
Created by admin on Wed Apr 02 20:18:10 GMT 2025 , Edited by admin on Wed Apr 02 20:18:10 GMT 2025
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PUBCHEM
11557215
Created by admin on Wed Apr 02 20:18:10 GMT 2025 , Edited by admin on Wed Apr 02 20:18:10 GMT 2025
PRIMARY
FDA UNII
4326T54YT8
Created by admin on Wed Apr 02 20:18:10 GMT 2025 , Edited by admin on Wed Apr 02 20:18:10 GMT 2025
PRIMARY