2-butanoyl-4-[[3-butanoyl-5-[(3-butanoyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-2,4,6-trihydroxyphenyl]methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one

Modify Date: 2025-11-26 11:15:17

2-butanoyl-4-[[3-butanoyl-5-[(3-butanoyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-2,4,6-trihydroxyphenyl]methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one Structure
2-butanoyl-4-[[3-butanoyl-5-[(3-butanoyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-2,4,6-trihydroxyphenyl]methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one structure
Common Name 2-butanoyl-4-[[3-butanoyl-5-[(3-butanoyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-2,4,6-trihydroxyphenyl]methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one
CAS Number 36253-23-3 Molecular Weight 654.70100
Density 1.387g/cm3 Boiling Point 875.6ºC at 760 mmHg
Molecular Formula C35H42O12 Melting Point N/A
MSDS N/A Flash Point 497.2ºC

 Names

Name 2-butanoyl-4-[[3-butanoyl-5-[(3-butanoyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-2,4,6-trihydroxyphenyl]methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.387g/cm3
Boiling Point 875.6ºC at 760 mmHg
Molecular Formula C35H42O12
Molecular Weight 654.70100
Flash Point 497.2ºC
Exact Mass 654.26800
PSA 230.12000
LogP 5.92980
Index of Refraction 1.645
InChIKey YAWQELJXNKRLJI-UHFFFAOYSA-N
SMILES CCCC(=O)C1=C(O)C(Cc2c(O)c(Cc3c(O)c(C)c(O)c(C(=O)CCC)c3O)c(O)c(C(=O)CCC)c2O)=C(O)C(C)(C)C1=O

 Synonyms

tris-fac-Ir(ppy)3
Tris(2-phenylpyridine)iridium(III)
trisflavaspidic acid-BBB
Trisflavaaspidinsaeure
tris(2-phenylpyridine)iridium
fac-Ir(2-phenylpyridyl)3
tris(2-phenylpyridinato-C2,N)iridium(III)
trisflaspidic acid-BBBB
fac-Ir(ppy)3
Trisflavaspidsaeure-BBB
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