2-[(1E,3E,7E,9E,17E)-14,19-dihydroxy-3,5,9,11,13,15,17-heptamethyl-12-oxononadeca-1,3,7,9,17-pentaenyl]-3-methyl-2,3-dihydropyran-6-one
Basic information
- CAS
149598-69-6- Standard SMILES
CC(/C=C/C1OC(=O)C=CC1C)=C\C(C)C/C=C/C(C)=C/C(C)C(=O)C(C)C(O)C(C)C/C(C)=C/CO- InChIKey
LMXMVUQKOHQTKA-UHFFFAOYSA-N- Molecular formula
- C32H48O5
- Average molar mass
- 512.7 g/mol
- Monoisotopic mass
- 512.35017463
Overview
Reductoleptomycin A has been reported in Streptomyces with data available.
Names & identifiers
- Preferred name
- 2-[(1E,3E,7E,9E,17E)-14,19-dihydroxy-3,5,9,11,13,15,17-heptamethyl-12-oxononadeca-1,3,7,9,17-pentaenyl]-3-methyl-2,3-dihydropyran-6-one
- IUPAC
- 2-[(1E,3E,7E,9E,17E)-14,19-dihydroxy-3,5,9,11,13,15,17-heptamethyl-12-oxononadeca-1,3,7,9,17-pentaenyl]-3-methyl-2,3-dihydropyran-6-one
- English name
- 6-[(1E,3E,7E,9E,17E)-14,19-dihydroxy-3,5,9,11,13,15,17-heptamethyl-12- oxo-nonadeca-1,3,7,9,17-pentaenyl]-5-methyl-5,6-dihydropyran-2-one
- Molecular formula
- C32H48O5
- Molecular weight
- 512.72
Names & synonyms
2-[(1E,3E,7E,9E,17E)-14,19-dihydroxy-3,5,9,11,13,15,17-heptamethyl-12-oxononadeca-1,3,7,9,17-pentaenyl]-3-methyl-2,3-dihydropyran-6-one2H-Pyran-2-one, 5,6-dihydro-6-(14,19-dihydroxy-3,5,9,11,13,15,17-heptamethyl-12-oxo-1,3,7,9,17-nonadecapentaenyl)-5-methyl-6-[(1E,3E,7E,9E,17E)-14,19-dihydroxy-3,5,9,11,13,15,17-heptamethyl-12- oxo-nonadeca-1,3,7,9,17-penta6-[(1E,3E,7E,9E,17E)-14,19-DIHYDROXY-3,5,9,11,13,15,17-HEPTAMETHYL-12- OXO-NONADECA-1,3,7,9,17-PENTAENYL]-5-METHYL-5,6-DIHYDROPYRAN-2-ONE2H-Pyran-2-one, 6-(14,19-dihydroxy-3,5,9,11,13,15,17-heptamethyl-12-oxo-1,3,7,9,17-nonadecapentaenyl)-5,6-dihydro-5-methyl- (9CI)
Database identifiers
- CAS
149598-69-6- PubChem CID
- 6448769
- Nikkaji
- J550.969F
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 14
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 933
Physicochemical properties
- Boiling point
- 680.5 · 680.5±55.0 °C(Predicted)
- Density
- 1.044 · 1.044±0.06 g/cm3(Predicted)
- pka
- 14.16 · 14.16±0.20(Predicted)
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Related reactions
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Compound notes
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