DTXSID60912998

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

CAS: 989-54-8

Molecular Formula	`C25H32O8`
Molecular Weight	460.5 g/mol
LogP	4.1
Topological Polar Surface Area	141.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	8
Rotatable Bonds	9
Exact Mass	460.20972
Heavy Atoms	33
Complexity	852.0

Chemical Identifiers

CAS Number	989-54-8
SMILES	`CCCC(=O)C1=C(C(=C(C(=C1O)C)OC)CC2=C(C(C(=O)C(=C2O)C(=O)CCC)(C)C)O)O`
InChIKey	`RHHXCNHESMAVTJ-UHFFFAOYSA-N`

📖 Product Overview

DTXSID60912998 (CAS: 989-54-8) is a chemical compound with molecular formula C25H32O8 and molecular weight 460.5 g/mol. Its IUPAC systematic name is 2-butanoyl-4-[(3-butanoyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one. LogP 4.1 Topological Polar Surface Area 141.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 8 Rotatable Bonds 9 Exact Mass 460.20972 Heavy Atoms 33 Complexity 852.0 InChI Key: RHHXCNHESMAVTJ-UHFFFAOYSA-N. SMILES: CCCC(=O)C1=C(C(=C(C(=C1O)C)OC)CC2=C(C(C(=O)C(=C2O)C(=O)CCC)(C)C)O)O.

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