Chettaphanin I

methyl 5-[2-(furan-3-yl)-2-oxoethyl]-8a-hydroxy-1,5,6-trimethyl-3-oxo-2,6,7,8-tetrahydronaphthalene-1-carboxylate

Also Known As: Chettaphanin I|5-[2-(3-Furyl)-2-oxoethyl]-1,2,3,5,6,7,8,8a-octahydro-8a-hydroxy-1,5,6-trimethyl-3-oxo-1-naphthalenecarboxylic acid methyl ester|methyl 5-[2-(3-furyl)-2-oxo-ethyl]-8a-hydroxy-1,5,6-trimethyl-3-oxo-2,6,7,8-tetrahydronaphthalene-1-carboxylate|methyl 5-[2-(furan-3-yl)-2-oxoethyl]-8a-hydroxy-1,5,6-trimethyl-3-oxo-1,2,3,5,6,7,8,8a-octahydronaphthalene-1-carboxylate|methyl 5-[2-(furan-3-yl)-2-oxoethyl]-8a-hydroxy-1,5,6-trimethyl-3-oxo-2,6,7,8-tetrahydronaphthalene-1-carboxylate

Molecular Formula	C21H26O6
Molecular Weight	374.17294 g/mol
LogP	1.8
Topological Polar Surface Area	93.8 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	5
Exact Mass	374.17294
Monoisotopic Mass	374.17294
Heavy Atoms	27
Complexity	697.0

Chemical Identifiers

CAS Number	28487-86-7
SMILES	CC1CCC2(C(=CC(=O)CC2(C)C(=O)OC)C1(C)CC(=O)C3=COC=C3)O
InChIKey	HMVKEMUTFLFBSI-UHFFFAOYSA-N