Steffimycin B structure

Steffimycin B

2,5,7-trihydroxy-4-(4-hydroxy-3,5-dimethoxy-6-methyloxan-2-yl)oxy-3,9-dimethoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione

Also Known As: Steffimycin B|U 40615|NCI60_001720|2,5,7-trihydroxy-4-(4-hydroxy-3,5-dimethoxy-6-methyloxan-2-yl)oxy-3,9-dimethoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione|NSC 204855, Steffimycin B, U 40615|(2S,3S,4R)-2,5,7-Trihydroxy-4-[(2S,3R,4R,5R,6S)-4-hydroxy-3,5-dimethoxy-6-methyloxan-2-yl]oxy-3,9-dimethoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione|1,6,11(2H)-Naphthacenetrione, 4-((6-deoxy-2,4-di-O-methyl-alpha-L-mannopyranosyl)oxy)-3,4-dihydro-2,5,7-trihydroxy-3,9-dimethoxy-2-methyl-|1,11(2H)-Naphthacenetrione, 4-[(6-deoxy-2,4-di-O-methyl-.alpha.-L-mannopyranosyl)oxy]-3,4-dihydro-2,5,7-trihydroxy-3,9-dimethoxy-2-methyl-|1,6,11(2H)-Naphthacenetrione, 4-[(6-deoxy-2,4-di-O-methyl-.alpha.-L-mannopyranosyl)oxy]-3,4-dihydro-2,5,7-trihydroxy-3,9-dimethoxy-2-methyl-|3,10,12-trihydroxy-2,8-dimethoxy-3-methyl-4,6,11-trioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 6-deoxy-2,4-di-O-methylhexopyranoside

CAS: 54526-94-2
Molecular Formula C29H32O13
Molecular Weight 588.18427 g/mol
LogP 1.04
Topological Polar Surface Area 187.51 Ų
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 13
Rotatable Bonds 6
Exact Mass 588.18427
Heavy Atoms 42
Complexity 1464.2

Chemical Identifiers

CAS Number 54526-94-2
SMILES CC1C(C(C(C(O1)OC2C(C(C(=O)C3=CC4=C(C(=C23)O)C(=O)C5=C(C4=O)C=C(C=C5O)OC)(C)O)OC)OC)O)OC

Product Overview

Steffimycin B (CAS 54526-94-2), with molecular formula C29H32O13 and molecular weight 588.18427 g/mol. IUPAC: 2,5,7-trihydroxy-4-(4-hydroxy-3,5-dimethoxy-6-methyloxan-2-yl)oxy-3,9-dimethoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione.

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