gamma-Amanitine structure

gamma-Amanitine

2-[34-butan-2-yl-8,22-dihydroxy-13-(3-hydroxybutan-2-yl)-2,5,11,14,30,33,36,39-octaoxo-27-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetamide

Also Known As: gamma-Amanitine, gamma-Amatoxin, GAMMA-AMANITIN, Rhenium chloride (ReCl3), 4-FLUOROACETOPHENONEOXIME, HSDB 3460, EINECS 236-970-9, 2-[29-(butan-2-yl)-2,14-dihydroxy-21-(3-hydroxybutan-2-yl)-5,8,20,23,24,27,30,33-octaoxo-1,2,3,5,6,7,8,9,10,12,17,18,19,20,21,22,23,23a-octadecahydro-9,18-(epiminoethanoiminoethanoiminoethanoiminomethano)pyrrolo[1',2':8,9][1,5,8,11,14]thiatetraazacyclooctadecino[18,17-b]indol-6-yl]acetamide

CAS: 13567-11-8
Molecular Formula C39H54N10O12S
Molecular Weight 886.3643 g/mol
LogP -3.91
Topological Polar Surface Area 343.58 Ų
Hydrogen Bond Donors 12
Hydrogen Bond Acceptors 13
Rotatable Bonds 6
Exact Mass 886.3643
Heavy Atoms 62
Complexity 2096

Chemical Identifiers

CAS Number 13567-11-8
SMILES CCC(C)C1C(=O)NCC(=O)NC2CSC3=C(CC(C(=O)NCC(=O)N1)NC(=O)C(NC(=O)C4CC(CN4C(=O)C(NC2=O)CC(=O)N)O)C(C)C(C)O)C5=C(N3)C=C(C=C5)O

Product Overview

gamma-Amanitine (CAS 13567-11-8), with molecular formula C39H54N10O12S and molecular weight 886.3643 g/mol. IUPAC: 2-[34-butan-2-yl-8,22-dihydroxy-13-(3-hydroxybutan-2-yl)-2,5,11,14,30,33,36,39-octaoxo-27-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetamide.

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