AC1Lcv70

HCID 607285

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Basic information

CAS: 19314-73-9
Standard SMILES: CCCCCC(=O)Cc1cc(OC)cc(O)c1C(=O)Oc1cc(CCCCC)c(C(=O)OC)c(OC)c1
InChIKey: OSLVGBOJUFMXHR-UHFFFAOYSA-N
Molecular formula: C29H38O8
Average molar mass: 514.6 g/mol
Monoisotopic mass: 514.25666817

Names & identifiers

Preferred name: AC1Lcv70
IUPAC: methyl 4-[2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoyl]oxy-2-methoxy-6-pentylbenzoate
English name: 4-[2-Hydroxy-4-methoxy-6-(2-oxoheptyl)benzoyloxy]-2-methoxy-6-pentylbenzoic acid methyl ester
Molecular formula: C29H38O8
Molecular weight: 514.61

Names & synonyms

AC1LCV7019314-73-9DTXSID50345817RefChem:313888DTXCID50296890OSLVGBOJUFMXHR-UHFFFAOYSA-N4-[2-Hydroxy-4-methoxy-6-(2-oxoheptyl)benzoyloxy]-2-methoxy-6-pentylbenzoic acid methyl ester3-methoxy-4-(methoxycarbonyl)-5-pentylphenyl 2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoatemethyl 4-[2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoyl]oxy-2-methoxy-6-pentylbenzoateo-Anisic acid, 4-hydroxy-6-pentyl-, methyl ester, ester with 2-hydroxy-6-(2-oxoheptyl)-p-anisic acidMethyl 4-([2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoyl]oxy)-2-methoxy-6-pentylbenzoate #Benzoic acid, 2-hydroxy-4-methoxy-6-(2-oxoheptyl)-, 3-methoxy-4-(methoxycarbonyl)-5-pentylphenyl ester

Database identifiers

CAS: 19314-73-9
PubChem CID: 607285
DTXSID: DTXSID50345817
Nikkaji: J121.622H

Properties

Computed structural properties

XLogP: 7.3
Topological polar surface area: 108 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 17
Heavy atoms: 37
Formal charge: 0
Complexity: 710

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