Asteltoxin

6-[(1E,3E,5E)-6-[(2R,3R,3aR,4R,5R,6aS)-2-ethyl-3,4-dihydroxy-3,3a-dimethyl-2,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]hexa-1,3,5-trienyl]-4-methoxy-5-methylpyran-2-one

Also Known As: Asteltoxin|EV-Toxin|(+)-asteltoxin|6-[(1E,3E,5E)-6-[(2R,3R,3aR,4R,5R,6aS)-2-ethyl-3,4-dihydroxy-3,3a-dimethyl-2,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]hexa-1,3,5-trienyl]-4-methoxy-5-methylpyran-2-one|2H-Pyran-2-one, 6-(6-(hexahydro-3,4-dihydroxy-3a,4-dimethyl-5-ethylfuro(2,3-b)furan-2-yl)-1,3,5-hexatrienyl)-4-methoxy-5-methyl-, (2R-(2-alpha(1E,3E,5E),3-alpha,3a-beta,4-beta,5-beta,6a-beta))-|6-((1E,3E,5E)-6-((2R,3R,3aR,4R,5R,6aS)-5-Ethylhexahydro-3,4-dihydroxy-3a,4-dimethylfuro(2,3-b)furan-2-yl)-1,3,5-hexatrien-1-yl)-4-methoxy-5-methyl-2H-pyran-2-one|6-[(1E,3E,5E)-6-[(1R,2R,3R,5R,7R,8R)-7-ethyl-2,8-dihydroxy-1|6-[(1E,3E,5E)-6-[(1R,2R,3R,5R,7R,8R)-7-ETHYL-2,8-DIHYDROXY-1,8-DIMETHY L-4,6-DIOXABICYCLO[3.3.0]OCT-3-YL]HEXA-1,3,5-TRIENYL]-4-METHOXY-5-METH YL-PYRAN-2-ONE|2H-Pyran-2-one, 6-(6-(5-ethylhexahydro-3,4-dihydroxy-3a,4-dimethylfuro(2,3-b)furan-2-yl)-1,3,5-hexatrienyl)-4-methoxy-5-methyl-, (2S-(2alpha(1E,3E,5E),3alpha,3abeta,4beta,5beta,6abeta))-, compd. with methanol (1:1)-|2H-Pyran-2-one,6-[(1E,3E,5E)-6-[(2R,3R,3aR,4R,5R,6aS)-5-ethylhexahydro-3,4-dihydroxy-3a,4-dimethylfuro[2,3-b]furan-2-yl]-1,3,5-hexatrien-1-yl]-4-methoxy-5-methyl-|6-((1E,3E,5E)-6-((2R,3R,3aR,4R,5R,6aS)-2-ethyl-3,4-dihydroxy-3,3a-dimethyl-2,4,5,6a-tetrahydrofuro(2,3-b)furan-5-yl)hexa-1,3,5-trienyl)-4-methoxy-5-methylpyran-2-one|6-((1E,3E,5E)-6-(5-ethyl-3,4-dihydroxy-3a,4-dimethyl-hexahydrofuro(2,3-b)furan-2-yl)hexa-1,3,5-trien-1-yl)-4-methoxy-5-methyl-2H-pyran-2-one|6-[(1E,3E,5E)-6-[(2R,3R,3aR,4R,5R,6aS)-2-ethyl-3,4-dihydroxy-3,3a-dimethyl-2,4,5,6a-tetrahydrofuro[4,5-d]furan-5-yl]hexa-1,3,5-trienyl]-4-methoxy-5-methylpyran-2-one|6-[(1E,3E,5E)-6-[(2R,3R,3aR,4R,5R,6aS)-2-ethyl-3,4-dihydroxy-3,3a-dimethyl-2,4,5,6a-tetrahydrouro[2,3-b]uran-5-yl]hexa-1,3,5-trienyl]-4-methoxy-5-methylpyran-2-one|6-[(1E,3E,5E)-6-[(2R,3R,3aR,4R,5R,6aS)-5-ethyl-3,4-dihydroxy-3a,4-dimethyl-hexahydrofuro[2,3-b]furan-2-yl]hexa-1,3,5-trien-1-yl]-4-methoxy-5-methyl-2H-pyran-2-one|6-[(1E,3E,5E)-6-[(2R,3R,3aR,4R,5R,6aS)-5-ethylhexahydro-3,4-dihydroxy-3a,4-dimethylfuro[2,3-b]furan-2-yl]-1,3,5-hexatrien-1-yl]-4-methoxy-5-methyl-2H-pyran-2-one|6-[(1E,3E,5E)-6-[(2R,3S,3aR,4R,5R,6aS)-2-ethyl-3,4-dihydroxy-3,3a-dimethyl-2,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]hexa-1,3,5-trienyl]-4-methoxy-5-methylpyran-2-one,methanol|6-[(1E,3E,5E)-6-[(2R,6abeta)-5beta-Ethylhexahydro-3alpha,4beta-dihydroxy-3abeta,4alpha-dimethylfuro[2,3-b]furan-2alpha-yl]-1,3,5-hexatrienyl]-4-methoxy-5-methyl-2H-pyran-2-one|NCGC00380401-01!6-[(1E,3E,5E)-6-[(2R,3R,3aR,4R,5R,6aS)-2-ethyl-3,4-dihydroxy-3,3a-dimethyl-2,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]hexa-1,3,5-trienyl]-4-methoxy-5-methylpyran-2-one

Molecular Formula	C23H30O7
Molecular Weight	418.19916 g/mol
LogP	2.73432
Topological Polar Surface Area	98.36 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	6
Exact Mass	418.19916
Monoisotopic Mass	418.19916
Heavy Atoms	30
Complexity	910.61694

Chemical Identifiers

CAS Number	72061-91-7
SMILES	CC[C@@H]1[C@]([C@]2([C@H]([C@H](O[C@H]2O1)/C=C/C=C/C=C/C3=C(C(=CC(=O)O3)OC)C)O)C)(C)O