Multiradiatin structure

Multiradiatin

[(3aS,5S,5aS,8aR,9S,9aS)-5,8a-dimethyl-1-methylidene-2,4,8-trioxo-5,5a,9,9a-tetrahydro-3aH-azuleno[6,5-b]furan-9-yl] 3-methylbut-2-enoate

Also Known As: MULTIRADIATIN|J2.770.070E|[(3aS,5S,5aS,8aR,9S,9aS)-5,8a-dimethyl-1-methylidene-2,4,8-trioxo-5,5a,9,9a-tetrahydro-3aH-azuleno[6,5-b]furan-9-yl] 3-methylbut-2-enoate|(3aS,4S,4aR,7aS,8S,9aS)-4a,8-Dimethyl-3-methylidene-2,5,9-trioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl 3-methylbut-2-enoate|(3aS,4S,4aR,7aS,8S,9aS)-4a,8-dimethyl-3-methylidene-2,5,9-trioxo-2H,3H,3aH,4H,4aH,5H,7aH,8H,9H,9aH-azuleno[6,5-b]furan-4-yl 3-methylbut-2-enoate|[(3aS,5S,5aS,8aR,9S,9aS)-5,8a-dimethyl-1-methylene-2,4,8-trioxo-5,5a,9,9a-tetrahydro-3aH-azuleno[6,5-b]furan-9-yl] 3-methylbut-2-enoate|3-Methyl-2-butenoic acid (3aS)-2,3,3aalpha,4,4a,5,7aalpha,8,9,9aalpha-decahydro-4abeta,8alpha-dimethyl-3-methylene-2,5,9-trioxoazuleno[6,5-b]furan-4alpha-yl ester

CAS: 58262-52-5
Molecular Formula C20H22O6
Molecular Weight 358.14163 g/mol
LogP 2.6
Topological Polar Surface Area 86.7 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
Rotatable Bonds 3
Exact Mass 358.14163
Monoisotopic Mass 358.14163
Heavy Atoms 26
Complexity 784.0

Chemical Identifiers

CAS Number 58262-52-5
SMILES C[C@H]1[C@@H]2C=CC(=O)[C@]2([C@H]([C@H]3[C@@H](C1=O)OC(=O)C3=C)OC(=O)C=C(C)C)C
InChIKey AUJNARNSAAQNAK-WWHLYTOASA-N

Product Overview

Multiradiatin (CAS 58262-52-5), with molecular formula C20H22O6 and molecular weight 358.14163 g/mol. IUPAC: [(3aS,5S,5aS,8aR,9S,9aS)-5,8a-dimethyl-1-methylidene-2,4,8-trioxo-5,5a,9,9a-tetrahydro-3aH-azuleno[6,5-b]furan-9-yl] 3-methylbut-2-enoate.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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