RefChem:365406

(5aS,9S,9aS,9bR)-3-hydroxy-5a,9-dimethyl-5,6,7,9,9a,9b-hexahydro-4H-benzo[g][1]benzofuran-2,8-dione

Also Known As: Naphtho(1,2-b)furan-2,8(4H,9H)-dione, 5,5a,6,7,9a,9b-hexahydro-3-hydroxy-5a,9-dimethyl-, (5aS-(5aalpha,9beta,9abeta,9balpha))-|(5aS,9S,9aS,9bR)-3-hydroxy-5a,9-dimethyl-5,6,7,9,9a,9b-hexahydro-4H-benzo[g][1]benzofuran-2,8-dione|3-Hydroxy-5a,9-dimethyl-5,5a,6,7,9a,9b-hexahydronaphtho[1,2-b]furan-2,8(4H,9H)-dione|(5aS,9S,9aS,9bR)-3-Hydroxy-5a,9-dimethyl-5,5a,6,7,9a,9b-hexahydronaphtho[1,2-b]furan-2,8(4H,9H)-dione|(5aS,9S,9aS,9bR)-3-hydroxy-5a,9-dimethyl-5,6,7,9,9a,9b-hexahydro-4H-benzo(g)(1)benzofuran-2,8-dione

Molecular Formula	C14H18O4
Molecular Weight	250.12051 g/mol
LogP	1.5
Topological Polar Surface Area	63.6 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	0
Exact Mass	250.12051
Monoisotopic Mass	250.12051
Heavy Atoms	18
Complexity	464.0

Chemical Identifiers

CAS Number	82025-93-2
SMILES	C[C@H]1[C@@H]2[C@@H]3C(=C(C(=O)O3)O)CC[C@]2(CCC1=O)C
InChIKey	QBIDRAVBRAKKGR-KGGBIUIESA-N