Sporidesmin J

(1R,2R,3S,11R,14R)-6-chloro-2,3-dihydroxy-7,8-dimethoxy-14,18-dimethyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-triene-13,17-dione

Also Known As: Sporidesmin J|DE-N6-METHYLSPORIDESMIN|(+-)-SPORIDESMIN J|(+/-)-SPORIDESMIN J|SPORIDESMIN J, (+-)-|SPORIDESMIN J, (+/-)-|(1R,2R,3S,11R,14R)-6-chloro-2,3-dihydroxy-7,8-dimethoxy-14,18-dimethyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-triene-13,17-dione|3,11a-Epidithio-11aH-pyrazino(1',2':1,5)pyrrolo(2,3-b)indole-1,4-dione,9-chloro-2,3,5a,6,10b,11-hexahydro-10b,11-dihydroxy-7,8-dimethoxy-2,3-dimethyl-, (3R,5aR,10bS,11R,11aR)-|3,11A-EPIDITHIO-11AH-PYRAZINO(1',2':1,5)PYRROLO(2,3-B)INDOLE-1,4-DIONE, 9-CHLORO-2,3,5A,6,10B,11-HEXAHYDRO-10B,11-DIHYDROXY-7,8-DIMETHOXY-2,3-DIMETHYL-, (3R-(3.ALPHA.,5A.ALPHA.,10B.ALPHA.,11.BETA.,11A.ALPHA.))-|(3R)-9-Chloro-2,3,5aalpha,6,10b,11-hexahydro-10balpha,11beta-dihydroxy-7,8-dimethoxy-2,3-dimethyl-3alpha,11aalpha-epidithio-11aH-pyrazino[1 ,2 :1,5]pyrrolo[2,3-b]indole-1,4-dione|(3R,5aR,10bS,11R,11aR)-9-Chloro-10b,11-dihydroxy-7,8-dimethoxy-2,3-dimethyl-2,3,5a,6,10b,11-hexahydro-3,11a-epidithiopyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4-dione|3,11A-EPIDITHIO-11AH-PYRAZINO(1',2':1,5)PYRROLO(2,3-B)INDOLE-1,4-DIONE, 9-CHLORO-2,3,5A,6,10B,11-HEXAHYDRO-10B,11-DIHYDROXY-7,8-DIMETHOXY-2,3-DIMETHYL-, (3R-(3ALPHA,5AALPHA,10BALPHA,11BETA,11AALPHA))-|9-Chloro-10b,11-dihydroxy-7,8-dimethoxy-2,3-dimethyl-2,3,5a,6,10b,11-hexahydro-3,11a-epidithiopyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4-dione

Molecular Formula	C17H18ClN3O6S2
Molecular Weight	459.03256 g/mol
LogP	0.1
Topological Polar Surface Area	162.0 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	9
Rotatable Bonds	2
Exact Mass	459.03256
Monoisotopic Mass	459.03256
Heavy Atoms	29
Complexity	794.0

Chemical Identifiers

CAS Number	69799-25-3
SMILES	C[C@@]12C(=O)N3[C@@H]4[C@]([C@H]([C@]3(C(=O)N1C)SS2)O)(C5=CC(=C(C(=C5N4)OC)OC)Cl)O
InChIKey	QMMDQXDENCYFDX-UNTBTUBKSA-N