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Details

Stereochemistry ABSOLUTE
Molecular Formula C37H42N4O11S
Molecular Weight 750.815
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Carbamic acid, [5-(acetyloxy)-14-cyano-6,6a,7,13,14,16-hexahydro-9-methoxy-8-(methoxymethoxy)-4,10,23-trimethyl-19-oxo-6,16-(epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocin-20-yl]-, 2-propenyl ester, [6R-(6R*,6aR*,7R*

SMILES

[H][C@@]12CC3=CC(C)=C(OC)C(OCOC)=C3[C@@]([H])(N1C)[C@@]4([H])N([C@H]2C#N)[C@@]5([H])COC(=O)[C@@H](CS[C@]4([H])C6=C(OC(C)=O)C(C)=C7OCOC7=C56)NC(=O)OCC=C

InChI

InChIKey=CCRCOOJHJOMLQX-CZJJMISNSA-N
InChI=1S/C37H42N4O11S/c1-8-9-47-37(44)39-21-14-53-35-27-26(34-32(50-16-51-34)18(3)31(27)52-19(4)42)24(13-48-36(21)43)41-23(12-38)22-11-20-10-17(2)30(46-7)33(49-15-45-6)25(20)28(29(35)41)40(22)5/h8,10,21-24,28-29,35H,1,9,11,13-16H2,2-7H3,(H,39,44)/t21-,22+,23+,24+,28-,29-,35-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
[(1R,2R,3R,11S,12R,14R,26R)-12-cyano-6-methoxy-5-(methoxymethoxy)-7,21,30-trimethyl-27-oxo-26-(prop-2-enoxycarbonylamino)-17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15,20,22-hexaen-22-yl] acetate
Preferred Name English
Carbamic acid, [5-(acetyloxy)-14-cyano-6,6a,7,13,14,16-hexahydro-9-methoxy-8-(methoxymethoxy)-4,10,23-trimethyl-19-oxo-6,16-(epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocin-20-yl]-, 2-propenyl ester, [6R-(6R*,6aR*,7R*
Systematic Name English
Code System Code Type Description
PUBCHEM
11093876
Created by admin on Wed Apr 02 18:47:50 GMT 2025 , Edited by admin on Wed Apr 02 18:47:50 GMT 2025
PRIMARY
FDA UNII
752F4BB7J9
Created by admin on Wed Apr 02 18:47:50 GMT 2025 , Edited by admin on Wed Apr 02 18:47:50 GMT 2025
PRIMARY
CAS
182201-62-3
Created by admin on Wed Apr 02 18:47:50 GMT 2025 , Edited by admin on Wed Apr 02 18:47:50 GMT 2025
PRIMARY