Cercosporin

7,19-dihydroxy-5,21-bis[(2S)-2-hydroxypropyl]-6,20-dimethoxy-12,14-dioxahexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1,3(8),4,6,10,15,18(23),19,21-nonaene-9,17-dione

Also Known As: CERCOSPORIN|(+)-Isocercosporin|CERCOSPORIN, PURE|2-(1,3-benzodioxol-5-yl)quinoline|HB3826|SID:464079054|6,11-dihydroxy-8,9-bis[(2s)-2-hydroxypropyl]-7,10-dimethoxyperylo[1,12-def][1,3]dioxepine-5,12-dione|7,19-dihydroxy-5,21-bis[(2S)-2-hydroxypropyl]-6,20-dimethoxy-12,14-dioxahexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1,3(8),4,6,10,15,18(23),19,21-nonaene-9,17-dione|6,12-Dihydroxy-7,10-dimethoxy-8,9-bis[(S)-2-hydroxypropyl]perylo[1,12-def]-1,3-dioxepin-5,11-dione|7,19-dihydroxy-5,21-bis[(2S)-2-hydroxypropyl]-6,20-dimethoxy-12,14-dioxahexacyclo[13.8.0.0(2),(1)(1).0(3),?.0?,(2)(2).0(1)?,(2)(3)]tricosa-1(23),2,4(22),5,7,10,15,18,20-nonaene-9,17-dione|9,19-dihydroxy-5,21-bis[(2S)-2-hydroxypropyl]-6,20-dimethoxy-12,14-dioxahexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1,3,5,8,10,15,18,20,22-nonaene-7,17-dione|Perylo[1,12-def]-1,3-dioxepin-5,11-dione, 6,12-dihydroxy-8,9-bis(2-hydroxypropyl)-7,10-dimethoxy-, stereoisomer|Perylo[1,12-def]-1,3-dioxepin-5,11-dione,6,12-dihydroxy-8,9-bis[(2R)-2-hydroxypropyl]-7,10-dimethoxy-, (13bR)-

Molecular Formula	C29H26O10
Molecular Weight	534.1526 g/mol
LogP	4.0
Topological Polar Surface Area	152.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	10
Rotatable Bonds	6
Exact Mass	534.1526
Monoisotopic Mass	534.1526
Heavy Atoms	39
Complexity	988.0

Chemical Identifiers

CAS Number	35281-32-4
SMILES	C[C@@H](CC1=C2C3=C(C(=C(C4=C3C5=C6C2=C(C(=O)C=C6OCOC5=CC4=O)C(=C1OC)O)O)OC)C[C@H](C)O)O
InChIKey	MXLWQNCWIIZUQT-QWRGUYRKSA-N