Orf 13811

calcium bis(2-[4-(5-hydroxy-4,8-dimethylnon-7-enyl)-4-methyl-3,8-dioxabicyclo[3.2.1]octan-1-yl]acetate)

Also Known As: Orf-13811|Orf 13811|calcium bis[2,7:3,6-dianhydro-6-(carboxylatomethyl)-1,4,5-trideoxy-2-(5-hydroxy-4,8-dimethylnon-7-en-1-yl)heptitol]|Calcium;2-[4-(5-hydroxy-4,8-dimethylnon-7-enyl)-4-methyl-3,8-dioxabicyclo[3.2.1]octan-1-yl]acetate|3,8-Dioxabicyclo(3.2.1)octane-1-acetic acid, 4-(5-hydroxy-4,8-dimethyl-7-nonenyl)-4-methyl-, calcium salt (2:1)|4-(5-Hydroxy-4,8-dimethyl-7-nonenyl)-4-methyl-3,8-dioxabicyclo(3.2.1)octane-1-acetic acid|calcium 2-[2-(5-hydroxy-4,8-dimethylnon-7-enyl)-2-methyl-3,8-dioxabicyclo[3.2.1]octan-5-yl]acetate

Molecular Formula	C40H66CaO10
Molecular Weight	746.42816 g/mol
LogP	4.3326
Topological Polar Surface Area	158.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	10
Rotatable Bonds	16
Exact Mass	746.42816
Monoisotopic Mass	746.42816
Heavy Atoms	51
Complexity	493.0

Chemical Identifiers

CAS Number	89416-07-9
SMILES	CC(CCCC1(C2CCC(O2)(CO1)CC(=O)[O-])C)C(CC=C(C)C)O.CC(CCCC1(C2CCC(O2)(CO1)CC(=O)[O-])C)C(CC=C(C)C)O.[Ca+2]
InChIKey	CYGFELACLUIGFX-UHFFFAOYSA-L