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2H-Pyran-2-one, 4-methoxy-5-methyl-6-(7-methyl-8-(tetrahydro-3,4-dihydroxy-2,4,5-trimethyl-2-furanyl)-1,3,5,7-octatetraenyl)-, (2alpha(1E,3E,5E,7E),3beta,4alpha,5alpha)-

HCID 6442901
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Basic information

CAS
110549-63-8
Standard SMILES
COc1cc(=O)oc(/C=C/C=C/C=C/C(C)=C/[C@]2(C)O[C@@H](C)[C@@](C)(O)[C@@H]2O)c1C
InChIKey
JLSVDPQAIKFBTO-DEZFPIPISA-N
Molecular formula
C23H30O6
Average molar mass
402.5 g/mol
Monoisotopic mass
402.20423867

Names & identifiers

Preferred name
2H-Pyran-2-one, 4-methoxy-5-methyl-6-(7-methyl-8-(tetrahydro-3,4-dihydroxy-2,4,5-trimethyl-2-furanyl)-1,3,5,7-octatetraenyl)-, (2alpha(1E,3E,5E,7E),3beta,4alpha,5alpha)-
IUPAC
6-[(1E,3E,5E,7E)-8-[(2S,3S,4S,5S)-3,4-dihydroxy-2,4,5-trimethyloxolan-2-yl]-7-methylocta-1,3,5,7-tetraenyl]-4-methoxy-5-methylpyran-2-one

Names & synonyms

110549-63-82H-Pyran-2-one, 4-methoxy-5-methyl-6-(7-methyl-8-(tetrahydro-3,4-dihydroxy-2,4,5-trimethyl-2-furanyl)-1,3,5,7-octatetraenyl)-, (2alpha(1E,3E,5E,7E),3beta,4alpha,5alpha)-

Database identifiers

CAS
110549-63-8
PubChem CID
6442901

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
85.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
29
Formal charge
0
Complexity
828

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