Products 676340-02-6

CAS 676340-02-6 is the registry number for Alternapyrone. Offered by: GLPBio, Biosynth, MedChemExpress. Available pack sizes: 1mg, 250μg, 5mg, 10mg, Get quote.

Alternapyrone
GLPBio, Biosynth, MedChemExpress
  • size: 1mg, 250μg, 5mg, 10mg
  • Variants: 6
from 1687.60
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Structural formula: {0} (CAS {1})

Alternapyrone is a member of the class of 2-pyranones that is 2H-pyran-2-one in which the hydrogens at positions 3, 4, 5 and 6 are replaced by methyl, hydroxy, methyl and (4E,6E,12E)-4,6,8,12,14-pentamethylhexadeca-4,6,12-trien-2-yl groups, respectively. It is a decaketide that is anabolized by a type I polyketide synthase in Alternaria solani. It has a role as a fungal metabolite. It is a decaketide, a heteroaryl hydroxy compound, a member of 2-pyranones and an olefinic compound.

Source: ChEBI

Identity
Molecular formulaC28H44O3
Molecular weight428.6 g/mol
IUPAC name4-hydroxy-3,5-dimethyl-6-[(4E,6E,12E)-4,6,8,12,14-pentamethylhexadeca-4,6,12-trien-2-yl]pyran-2-one
InChIKeyZPFTUJZLXSKBKE-NZDFSFLRSA-N
SMILESCCC(C)/C=C(\C)/CCCC(C)/C=C(\C)/C=C(\C)/CC(C)C1=C(C(=C(C(=O)O1)C)O)C

Computed by PubChem (NCBI)

Synonyms: Alternapyrone, orb2695129
Isomers (same molecular formula)
trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol C28H44O3
cis-(1S,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol C28H44O3
cis-(1R,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2,4-dimethylidenecyclohexane-1,3-diol C28H44O3
(E,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,3-dimethylhept-4-ene-2,3-diol C28H44O3
trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,2R,5S)-7,7,7-trideuterio-6-hydroxy-5-methyl-6-(trideuteriomethyl)hept-3-en-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol C28H44O3
(E,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methyl-3-(trideuteriomethyl)hept-4-ene-2,3-diol C28H44O3
[(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] decanoate C28H44O3
(E,3R,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,3-dimethylhept-4-ene-2,3-diol C28H44O3
(E,6R)-6-[(3S,9S,10R,13R,14R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-3-(trideuteriomethyl)hept-4-ene-2,3-diol C28H44O3
cis-(1S,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,2R,5S)-7,7,7-trideuterio-6-hydroxy-5-methyl-6-(trideuteriomethyl)hept-3-en-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol C28H44O3
cis-(1R,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol C28H44O3
(1S,2R,5R,6R,9R,10R,13S,15S)-5-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-ol C28H44O3