2-Propen-1-yl (6R,6aR,7R,13S,14R,16R,20R)-5-(acetyloxy)-14-cyano-6,6a,7,13,14,16-hexahydro-9-methoxy-4,10-dimethyl-19-oxo-8-(2-propen-1-yloxy)-20-[[(2,2,2-trichloroethoxy)carbonyl]amino]-6,16-(epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo[7,8]isoqu

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C40H41Cl3N4O12S
Molecular Weight	908.197
Optical Activity	( - )
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-Propen-1-yl (6R,6aR,7R,13S,14R,16R,20R)-5-(acetyloxy)-14-cyano-6,6a,7,13,14,16-hexahydro-9-methoxy-4,10-dimethyl-19-oxo-8-(2-propen-1-yloxy)-20-[[(2,2,2-trichloroethoxy)carbonyl]amino]-6,16-(epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo[7,8]isoqu

Structure Search

SMILES

COC1=C(C)C=C2C[C@H]3[C@H](C#N)N4[C@H]5COC(=O)[C@H](CS[C@@H]([C@H]4[C@H](N3C(=O)OCC=C)C2=C1OCC=C)C6=C(OC(C)=O)C(C)=C7OCOC7=C56)NC(=O)OCC(Cl)(Cl)Cl

InChI

InChIKey=DXVHALSUOZTLAR-AMTADKHSSA-N

InChI=1S/C40H41Cl3N4O12S/c1-7-9-53-34-26-21(11-18(3)31(34)52-6)12-23-24(13-44)46-25-14-55-37(49)22(45-38(50)56-16-40(41,42)43)15-60-36(30(46)29(26)47(23)39(51)54-10-8-2)28-27(25)35-33(57-17-58-35)19(4)32(28)59-20(5)48/h7-8,11,22-25,29-30,36H,1-2,9-10,12,14-17H2,3-6H3,(H,45,50)/t22-,23-,24-,25-,29+,30+,36+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C40H41Cl3N4O12S
Molecular Weight	908.197
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 21:24:05 GMT 2025` Edited by `admin` on `Wed Apr 02 21:24:05 GMT 2025`
Record UNII	H3XA4V4AVZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

6,16-(Epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocine-23-carboxylic acid, 5-(acetyloxy)-14-cyano-6,6a,7,13,14,16-hexahydro-9-methoxy-4,10-dimethyl-19-oxo-8-(2-propen-1-yloxy)-20-[[(2,2,2-trichloroethoxy)carbonyl]amin

Preferred Name

English

2-Propen-1-yl (6R,6aR,7R,13S,14R,16R,20R)-5-(acetyloxy)-14-cyano-6,6a,7,13,14,16-hexahydro-9-methoxy-4,10-dimethyl-19-oxo-8-(2-propen-1-yloxy)-20-[[(2,2,2-trichloroethoxy)carbonyl]amino]-6,16-(epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo[7,8]isoqu

Systematic Name

English

Code System Code Type Description

CAS

874758-70-0

Created by admin on Wed Apr 02 21:24:05 GMT 2025 , Edited by admin on Wed Apr 02 21:24:05 GMT 2025

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PUBCHEM

11607606

Created by admin on Wed Apr 02 21:24:05 GMT 2025 , Edited by admin on Wed Apr 02 21:24:05 GMT 2025

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FDA UNII

H3XA4V4AVZ

Created by admin on Wed Apr 02 21:24:05 GMT 2025 , Edited by admin on Wed Apr 02 21:24:05 GMT 2025

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