Ivalbin

6-(1,3-dihydroxybutyl)-7-methyl-3-methylidene-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one

Also Known As: IVALBIN|NCI60_000989|6-(1,3-Dihydroxybutyl)-7-methyl-3-methylene-3,3a,4,7,8,8a-hexahydro-2H-cyclohepta(b)furan-2-one|6-(1,3-dihydroxybutyl)-7-methyl-3-methylidene-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one|6-(1,3-Dihydroxybutyl)-7-methyl-3-methylene-3,3a,4,7,8,8a-hexahydro-2H-cyclohepta[b]furan-2-one|6-(1,3-dihydroxybutyl)-7-methyl-3-methylene-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one|6-(1,3-Dihydroxybutyl)-7-methyl-3-methylidene-3,3a,4,7,8,8a-hexahydro-2H-cyclohepta[b]furan-2-one|6-(1,3-dihydroxybutyl)-7-methyl-3-methylidene-4,7,8,8a-tetrahydro-3aH-cyclohepta(b)furan-2-one|6-(1,3-dihydroxybutyl)-7-methyl-3-methylidene-4,7,8,8a-tetrahydro-3aH-cyclohepta[d]furan-2-one

Molecular Formula	C15H22O4
Molecular Weight	266.1518 g/mol
LogP	1.3
Topological Polar Surface Area	66.8 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	3
Exact Mass	266.1518
Monoisotopic Mass	266.1518
Heavy Atoms	19
Complexity	412.0

Chemical Identifiers

CAS Number	76353-74-7
SMILES	CC1CC2C(CC=C1C(CC(C)O)O)C(=C)C(=O)O2
InChIKey	TVKYSIIBPQZNFW-UHFFFAOYSA-N