Phomopsolide B structure

Phomopsolide B

[(2S,3S)-2-[(E,3S,4S)-3,4-dihydroxypent-1-enyl]-6-oxo-2,3-dihydropyran-3-yl] (E)-2-methylbut-2-enoate

Also Known As: Phomopsolide B|Phomopsolid B|(+)-Phomopsolide B|MEGxm0_000024|ACon0_000031|ACon1_001076|NCGC00169700-01|J2.731.497J|[(2S,3S)-2-[(E,3S,4S)-3,4-dihydroxypent-1-enyl]-6-oxo-2,3-dihydropyran-3-yl] (E)-2-methylbut-2-enoate|BRD-K15758093-001-01-7|((2S,3S)-2-((E,3S,4S)-3,4-dihydroxypent-1-enyl)-6-oxo-2,3-dihydropyran-3-yl) (E)-2-methylbut-2-enoate|(2S,3S)-2-[(1E,3S,4S)-3,4-dihydroxypent-1-en-1-yl]-6-oxo-3,6-dihydro-2H-pyran-3-yl (2E)-2-methylbut-2-enoate|(2S,3S)-2-[(1E,3S,4S)-3,4-dihydroxypent-1-en-1-yl]-6-oxo-3,6-dihydro-2H-pyran-3-yl 2-methylbut-2-enoate|(6S)-5,6-Dihydro-6alpha-[(1E,3S,4S)-3,4-dihydroxy-1-pentenyl]-5alpha-[(E)-2-methyl-2-butenoyloxy]-2H-pyran-2-one|(E)-2-Methyl-2-butenoic acid [(5S,6S)-2-oxo-6-[(3S,4S,E)-3,4-dihydroxy-1-pentenyl]-5,6-dihydro-2H-pyran-5-yl] ester|2-Methyl-2-butenoic acid (2S)-2beta-[(1E,3S,4S)-3,4-dihydroxy-1-pentenyl]-6-oxo-3,6-dihydro-2H-pyran-3beta-yl ester

CAS: 97529-84-5
Molecular Formula C15H20O6
Molecular Weight 296.12598 g/mol
LogP 0.6439
Topological Polar Surface Area 93.06 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
Rotatable Bonds 5
Exact Mass 296.12598
Monoisotopic Mass 296.12598
Heavy Atoms 21
Complexity 474.5555

Chemical Identifiers

CAS Number 97529-84-5
SMILES C/C=C(\C)/C(=O)O[C@H]1C=CC(=O)O[C@H]1/C=C/[C@@H]([C@H](C)O)O

Product Overview

Phomopsolide B (CAS 97529-84-5), with molecular formula C15H20O6 and molecular weight 296.12598 g/mol. IUPAC: [(2S,3S)-2-[(E,3S,4S)-3,4-dihydroxypent-1-enyl]-6-oxo-2,3-dihydropyran-3-yl] (E)-2-methylbut-2-enoate.

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