Unii-6CS76F5hzn

5,15-dihydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.01,13.03,11.04,9.014,19]docosa-6,16-diene-2,8,12,18-tetrone

Also Known As: Epicorazine A|Epicorazine B|5,15-dihydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.01,13.03,11.04,9.014,19]docosa-6,16-diene-2,8,12,18-tetrone|4,11-Dihydroxy-4,4a,7,7a,11,11a,14,14a-octahydro-1H,6H,8H,13H-6a,13a-epidithiopyrazino[1,2-a:4,5-a']diindole-1,6,8,13-tetrone|8H,13H-6a,13a-Epidithio-1H,6H-pyrazino(1,2-a:4,5-a')diindole-1,6,8,13-tetrone, 4,4a,7,7a,11,11a,14,14a-octahydro-4,11-dihydroxy-, (4S-(4alpha,4aalpha,6abeta,7aalpha,11alpha,11aalpha,13abeta,14abeta))-|8H,13H-6a,13a-Epidithio-1H,6H-pyrazino(1,2-a:4,5-a')diindole-1,6,8,13-tetrone, 4,4a,7,7a,11,11a,14,14a-octahydro-4,11-dihydroxy-, (4S-(4alpha,4aalpha,6abeta,7abeta,11alpha,11aalpha,13abeta,14abeta))-|8H,13H-6a,13a-Epidithio-1H,6H-pyrazino[1,2-a:4,5-a']diindole-1,6,8,13-tetrone, 4,4a,7,7a,11,11a,14,14a-octahydro-4,11-dihydroxy-, [4S-(4.alpha.,4a.alpha.,6a.beta.,7a.beta.,11.alpha.,11a.alpha.,13a.beta.,14a.beta.)]-

Molecular Formula	C18H16N2O6S2
Molecular Weight	420.04498 g/mol
LogP	-1.7
Topological Polar Surface Area	166.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	0
Exact Mass	420.04498
Monoisotopic Mass	420.04498
Heavy Atoms	28
Complexity	861.0

Chemical Identifiers

CAS Number	69176-72-3
SMILES	C1C2C(C(C=CC2=O)O)N3C14C(=O)N5C6C(CC5(C3=O)SS4)C(=O)C=CC6O
InChIKey	RCODXLGTKJXDNC-UHFFFAOYSA-N