Vouacapan
[CAS# 40819-81-6]

Identification

• Name: Vouacapan
• Synonyms: Phenanthro(3,2-B)Furan-7-Carboxylic Acid, 1,2,3,4,4A,5,6,6A,7,11,11A,11B-Dodecahydro-5,6-Dihydroxy-4,4,11B-Trimethyl-, (4As-(4Aalpha,5Alpha,6Beta,6Abeta,7Beta,11Aalpha,11Bbeta))-; Vouacapan
• Molecular Formula: C₂₀H₂₈O₅
• Molecular Weight: 348.44
• CAS Registry Number: 40819-81-6
• SMILES: [C@]34([C@@H]1[C@H]([C@H](C(=O)O)C2=C(C1)OC=C2)[C@@H](O)[C@@H]([C@H]3C(C)(C)CCC4)O)C
• InChI: 1S/C20H28O5/c1-19(2)6-4-7-20(3)11-9-12-10(5-8-25-12)13(18(23)24)14(11)15(21)16(22)17(19)20/h5,8,11,13-17,21-22H,4,6-7,9H2,1-3H3,(H,23,24)/t11-,13+,14+,15+,16-,17-,20+/m0/s1
• InChIKey: GHQBUKANOGSFQS-WENPLGDPSA-N

Properties

• Density: 1.234g/cm³ (Cal.)
• Boiling point: 504.79°C at 760 mmHg (Cal.)
• Flash point: 259.088°C (Cal.)