Isoalantolactone

(3aR,4aS,8aR,9aR)-8a-methyl-3,5-dimethylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one

CAS: 470-17-7

Molecular Formula	`C15H20O2`
Molecular Weight	232.32 g/mol
LogP	3.4
Topological Polar Surface Area	26.3 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	2
Rotatable Bonds	0
Exact Mass	232.14633
Heavy Atoms	17
Complexity	409.0

Chemical Identifiers

CAS Number	470-17-7
SMILES	`CC12CCCC(=C)C1CC3C(C2)OC(=O)C3=C`
InChIKey	`CVUANYCQTOGILD-QVHKTLOISA-N`

📖 Product Overview

Isoalantolactone (CAS: 470-17-7) is a chemical compound with molecular formula C15H20O2 and molecular weight 232.32 g/mol. Its IUPAC systematic name is (3aR,4aS,8aR,9aR)-8a-methyl-3,5-dimethylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one. LogP 3.4 Topological Polar Surface Area 26.3 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 2 Rotatable Bonds 0 Exact Mass 232.14633 Heavy Atoms 17 Complexity 409.0 InChI Key: CVUANYCQTOGILD-QVHKTLOISA-N. SMILES: CC12CCCC(=C)C1CC3C(C2)OC(=O)C3=C.

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