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Details

Stereochemistry ABSOLUTE
Molecular Formula C34H37N3O10
Molecular Weight 647.6717
Optical Activity ( + )
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Propen-1-yl (6S,6aR,7R,13S,14R,16R)-16-[(acetyloxy)methyl]-14-cyano-6,6a,7,13,14,16-hexahydro-5,6-dihydroxy-9-methoxy-4,10-dimethyl-8-(2-propen-1-yloxy)-7,13-imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocine-17-carboxylate

SMILES

COC1=C(C)C=C2C[C@H]3[C@H](C#N)N4[C@@H](COC(C)=O)C5=C6OCOC6=C(C)C(O)=C5[C@H](O)[C@H]4[C@H](N3C(=O)OCC=C)C2=C1OCC=C

InChI

InChIKey=CGBFDEQYSVGBJE-ZYNRHCLJSA-N
InChI=1S/C34H37N3O10/c1-7-9-43-32-23-19(11-16(3)30(32)42-6)12-20-21(13-35)36-22(14-45-18(5)38)24-25(28(39)17(4)31-33(24)47-15-46-31)29(40)27(36)26(23)37(20)34(41)44-10-8-2/h7-8,11,20-22,26-27,29,39-40H,1-2,9-10,12,14-15H2,3-6H3/t20-,21-,22-,26+,27+,29-/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, 16-[(acetyloxy)methyl]-14-cyano-6,6a,7,13,14,16-hexahydro-5,6-dihydroxy-9-methoxy-4,10-dimethyl-8-(2-propen-1-yloxy)-, 2-propen-1-yl ester, (6S,6aR,7R,13S,14R,16R)-
Preferred Name English
2-Propen-1-yl (6S,6aR,7R,13S,14R,16R)-16-[(acetyloxy)methyl]-14-cyano-6,6a,7,13,14,16-hexahydro-5,6-dihydroxy-9-methoxy-4,10-dimethyl-8-(2-propen-1-yloxy)-7,13-imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocine-17-carboxylate
Systematic Name English
Code System Code Type Description
PUBCHEM
11578285
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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CAS
874758-67-5
Created by admin on Wed Apr 02 21:24:05 GMT 2025 , Edited by admin on Wed Apr 02 21:24:05 GMT 2025
PRIMARY
FDA UNII
K54CP89ULQ
Created by admin on Wed Apr 02 21:24:05 GMT 2025 , Edited by admin on Wed Apr 02 21:24:05 GMT 2025
PRIMARY