(3aR,5R,8aR,9aR)-8a-methyl-3-methylidene-decahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxirane]-2-one

• ChemBase ID: 188161
• Molecular Formular: C15H20O3
• Molecular Mass: 248.3175
• Monoisotopic Mass: 248.1412445
• SMILES: C1(=O)C(=C)[C@@H]2[C@H](O1)C[C@@]1(C([C@]3(OC3)CCC1)C2)C
• Canonical SMILES: O=C1O[C@H]2[C@@H](C1=C)CC1[C@](C2)(C)CCC[C@@]21CO2
• InChI: InChI=1S/C15H20O3/c1-9-10-6-12-14(2,7-11(10)18-13(9)16)4-3-5-15(12)8-17-15/h10-12H,1,3-8H2,2H3/t10-,11-,12?,14-,15+/m1/s1
• InChIKey: HQZRHGHRYBWKFN-IZQGUMMNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3aR,5R,8aR,9aR)-8a-methyl-3-methylidene-decahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxirane]-2-one
• IUPAC Traditional name: (3aR,5R,8aR,9aR)-8a-methyl-3-methylidene-octahydrospiro[naphtho[2,3-b]furan-5,2'-oxirane]-2-one

Database IDs

• PubChem SID: 164244071
• PubChem CID: 16396991

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5052075
• LogD (pH = 7.4): 2.5052075
• Log P: 2.5052075
• Molar Refractivity: 66.1356 cm^3
• Polarizability: 26.66545 Å^3
• Polar Surface Area: 38.83 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Genuine Natural Compounds