RefChem:476596 structure

RefChem:476596

1-hydroxy-4-[2-(4-hydroxy-3-methoxycarbonylnaphthalen-1-yl)-4-oxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-yl]-6-octadecoxynaphthalene-2-carboxylic acid

Also Known As: Phenol,2-cyclohexyl-,sodium salt (9CI)|2-Naphthalenecarboxylic acid, 1-hydroxy-4-[1-[4-hydroxy-3-(methoxycarbonyl)-1-naphthalenyl]-3-oxo-1H,3H-naphtho[1,8-cd]pyran-1-yl]-6-(octadecyloxy)-|1-Hydroxy-4-(1-(4-hydroxy-3-(methoxycarbonyl)-1-naphthalenyl)-3-oxo-1H,3H-naphtho(1,8-cd)pyran-1-yl)-6-(octadecyloxy)-2-naphthalenecarboxylic acid|1-hydroxy-4-{1-[4-hydroxy-3-(methoxycarbonyl)-1-naphthyl]-3-oxo-1h,3h-benzo[de]isochromen-1-yl}-6-(octadecyloxy)-2-naphthoic acid|2-Naphthalenecarboxylic acid, 1-hydroxy-4-(1-(4-hydroxy-3-(methoxycarbonyl)-1-naphthalenyl)-3-oxo-1H,3H-naphtho(1,8-cd)pyran-1-yl)-6-(octadecyloxy)-|1-Hydroxy-4-[1-[4-hydroxy-3-(methoxycarbonyl)-1-naphthalenyl]-3-oxo-1H,3H-naphtho[1,8-cd]pyran-1-yl]-6-(octadecyloxy)-2-naphthalenecarboxylic acid|1-Hydroxy-4-[2-(4-hydroxy-3-methoxycarbonylnaphthalen-1-yl)-4-oxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-yl]-6-octadecoxynaphthalene-2-carboxylic acid|1-Hydroxy-4-(1-(4-hydroxy-3-(methoxycarbonyl)-1-naphthyl)-3-oxo-1H,3H-naphtho(1,8-cd)pyran-1-yl)-6-(octadecyloxy)-2-naphthoic acid|1-hydroxy-4-[1-[4-hydroxy-3- -1-naphthyl]-3-oxo-1H,3H-naphtho[1,8-cd]pyran-1-yl]-6- -2-naphthoicacid|1-hydroxy-4-[1-[4-hydroxy-3-(methoxycarbonyl)-1-naphthyl]-3-oxo-1H,3H-naphtho[1,8-cd]pyran-1-yl]-6-(octadecyloxy)-2-naphthoic acid|1-Hydroxy-4-{1-[4-hydroxy-3-(methoxycarbonyl)naphthalen-1-yl]-3-oxo-1H,3H-naphtho[1,8-cd]pyran-1-yl}-6-(octadecyloxy)naphthalene-2-carboxylic acid|1-hydroxy-4-{2-[4-hydroxy-3-(methoxycarbonyl)naphthalen-1-yl]-4-oxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-2-yl}-6-(octadecyloxy)naphthalene-2-carboxylic acid|2-Naphthalenecarboxylic acid, 1-hydroxy-3-[1-[4-hydroxy-3-(methoxycarbonyl)-1-naphthalenyl]-3-oxo-1H,3H-naphtho[1,8-cd]pyran-1-yl]-6-(octadecyloxy)-|2-Naphthalenecarboxylic acid,1-hydroxy-4-[1-[4-hydroxy-3-(methoxycarbonyl)-1-naphthalenyl]-3-oxo-1H,3H-naphtho[1,8-cd]pyran-1-yl]-6-(octadecyloxy)-

CAS: 6337-59-3
Molecular Formula C53H58O9
Molecular Weight 838.4081 g/mol
LogP 16.9
Topological Polar Surface Area 140.0 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 9
Rotatable Bonds 23
Exact Mass 838.4081
Monoisotopic Mass 838.4081
Heavy Atoms 62
Complexity 1420.0

Chemical Identifiers

CAS Number 6337-59-3
SMILES CCCCCCCCCCCCCCCCCCOC1=CC2=C(C=C(C(=C2C=C1)O)C(=O)O)C3(C4=CC=CC5=C4C(=CC=C5)C(=O)O3)C6=CC(=C(C7=CC=CC=C76)O)C(=O)OC
InChIKey GQAKXAZXUYZQAI-UHFFFAOYSA-N

Product Overview

RefChem:476596 (CAS 6337-59-3), with molecular formula C53H58O9 and molecular weight 838.4081 g/mol. IUPAC: 1-hydroxy-4-[2-(4-hydroxy-3-methoxycarbonylnaphthalen-1-yl)-4-oxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-yl]-6-octadecoxynaphthalene-2-carboxylic acid.

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