AC1L4IB7

[(1S,3S,7R,8R,8aS)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-ethyl-2-methylbutanoate

Also Known As: L 643737-00S03|Butanoic acid, 2-ethyl-2-methyl-, 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester,(1S-(1alpha,3alpha,7beta,8beta(2S*,4S*),8abeta))-|[(1S,3S,7R,8R,8aS)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-ethyl-2-methylbutanoate|(1S,3S,7R,8R,8AS)-8-{2-[(2R,4R)-4-HYDROXY-6-OXOOXAN-2-YL]ETHYL}-3,7-DIMETHYL-1,2,3,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL 2-ETHYL-2-METHYLBUTANOATE|Butanoic acid,2-ethyl-2-methyl-,1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenylester, [1S-[1a,3a,7b,8b(2S*,4S*),8ab]]-(9CI)

Molecular Formula	C26H40O5
Molecular Weight	432.28757 g/mol
LogP	5.0
Topological Polar Surface Area	72.8 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	8
Exact Mass	432.28757
Monoisotopic Mass	432.28757
Heavy Atoms	31
Complexity	719.0

Chemical Identifiers

CAS Number	79902-60-6
SMILES	CCC(C)(CC)C(=O)O[C@H]1C[C@@H](C=C2[C@@H]1[C@@H]([C@@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C
InChIKey	OKOKBYYKKPVXFH-TURWMUHSSA-N