(3aR,4aalpha,9aalpha)-3a,4,4a,5,6,7,8,8a,9,9alpha-Decahydro-5alpha,8alpha-Dihydroxy-5,8abeta-Dimethyl-3-Methylenenaphtho[2,3-b]Furan-2(3H)-One
[CAS# 5945-43-7]

Identification

• Name: (3aR,4aalpha,9aalpha)-3a,4,4a,5,6,7,8,8a,9,9alpha-Decahydro-5alpha,8alpha-Dihydroxy-5,8abeta-Dimethyl-3-Methylenenaphtho[2,3-b]Furan-2(3H)-One
• Synonyms: (3Ar,4Ar,5R,8S,8Ar,9Ar)-5,8-Dihydroxy-5,8A-Dimethyl-3-Methylene-3A,4,4A,6,7,8,9,9A-Octahydrobenzo[F]Benzofuran-2-One; Microcephalin; Nsc85245
• Molecular Formula: C₁₅H₂₂O₄
• Molecular Weight: 266.34
• CAS Registry Number: 5945-43-7
• SMILES: [C@@]23([C@@H](C[C@@H]1C(=C)C(O[C@@H]1C2)=O)[C@@](O)(C)CC[C@@H]3O)C
• InChI: 1S/C15H22O4/c1-8-9-6-11-14(2,7-10(9)19-13(8)17)12(16)4-5-15(11,3)18/h9-12,16,18H,1,4-7H2,2-3H3/t9-,10-,11-,12+,14-,15-/m1/s1
• InChIKey: PHYFACKULSRHQU-OYFKMHTJSA-N

Properties

• Density: 1.232g/cm³ (Cal.)
• Boiling point: 451.984°C at 760 mmHg (Cal.)
• Flash point: 168.667°C (Cal.)