(3R,4aS,5S,6S,6aS,10aS,10bR)-5,6-Dihydroxy-3,4a,7,7,10a-pentamethyl-3-vinyldodecahydro-1H-benzo[f]chromen-1-one
[CAS# 64657-19-8]

Identification

• Name: (3R,4aS,5S,6S,6aS,10aS,10bR)-5,6-Dihydroxy-3,4a,7,7,10a-pentamethyl-3-vinyldodecahydro-1H-benzo[f]chromen-1-one
• Synonyms: 6β,7β-Dihydroxy-8,13-epoxy-labd-14-en-11-one; 7-Deacetyl-1,9-dideoxyforskolin from Coleus forskohlii; D3917_SIGMA
• Molecular Formula: C₂₀H₃₂O₄
• Molecular Weight: 336.47
• CAS Registry Number: 64657-19-8
• SMILES: C=C[C@@]1(C)CC(=O)[C@H]3[C@](C)(O1)[C@@H](O)[C@@H](O)[C@H]2C(C)(C)CCC[C@@]23C
• InChI: 1S/C20H32O4/c1-7-18(4)11-12(21)14-19(5)10-8-9-17(2,3)15(19)13(22)16(23)20(14,6)24-18/h7,13-16,22-23H,1,8-11H2,2-6H3/t13-,14+,15-,16-,18-,19+,20-/m0/s1
• InChIKey: PNQDGVYRLQBNOL-GPRZKFDUSA-N

Properties

• Density: 1.125g/cm³ (Cal.)
• Boiling point: 436.539°C at 760 mmHg (Cal.)
• Flash point: 145.266°C (Cal.)