AC1L4KOY

1,5-dimethyl-6-(6-methylheptan-2-yl)-11,13-dioxotetracyclo[10.3.1.02,10.05,9]hexadec-14-ene-15-carboxylic acid

Also Known As: 4-10-00-03174 (Beilstein Handbook Reference)|6,10-Methano-1H-cyclooct(e)indene-7-carboxylic acid, 3-(1,5-dimethylhexyl)-2,3,3a,4,5,5a,6,9,10,11,11a,11b-dodecahydro-3a,6-dimethyl-9,11-dioxo-|2,7-Cyclo-6,7-secocholest-4-en-6-oic acid, 3,7-dioxo-|3a,6-dimethyl-3-(6-methylheptan-2-yl)-9,11-dioxo-2,3,3a,4,5,5a,6,9,10,11,11a,11b-dodecahydro-1h-6,10-methanocycloocta[e]indene-7-carboxylic acid|acide dioxo-3,6 abeo 6(5->4) B-nor (10|A) cholestene-1 carboxylique-1|3,7-Dioxo-2,7-cyclo-6,7-seco-cholest-4-en-6-saeure,Anhydro-butenandtsaeure|3-(1,5-Dimethylhexyl)-2,3,3a,4,5,5a,6,9,10,11,11a,11b-dodecahydro-3a,6-dimethyl-9,11-dioxo-6,10-methano-1H-cyclooct(e)indene-7-carboxylic acid

Molecular Formula	C27H40O4
Molecular Weight	428.29266 g/mol
LogP	7.2
Topological Polar Surface Area	71.4 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	6
Exact Mass	428.29266
Monoisotopic Mass	428.29266
Heavy Atoms	31
Complexity	810.0

Chemical Identifiers

CAS Number	5356-98-9
SMILES	CC(C)CCCC(C)C1CCC2C1(CCC3C2C(=O)C4CC3(C(=CC4=O)C(=O)O)C)C
InChIKey	CPOBSJFACVUGSW-UHFFFAOYSA-N