(3R,4aR,5S,6S,6aS,10aS,10bS)-5,6,10B-Trihydroxy-3,4A,7,7,10A-Pentamethyl-3-Vinyldodecahydro-1H-Benzo[f]Chromen-1-One
[CAS# 121606-18-6]

Identification

• Name: (3R,4aR,5S,6S,6aS,10aS,10bS)-5,6,10B-Trihydroxy-3,4A,7,7,10A-Pentamethyl-3-Vinyldodecahydro-1H-Benzo[f]Chromen-1-One
• Synonyms: 6β,7β,9α-Trihydroxy-8,13-epoxy-labd-14-en-11-one; 7-Deacetyl-1-deoxyforskolin from Coleus forskohlii; D3792_SIGMA
• Molecular Formula: C₂₀H₃₂O₅
• Molecular Weight: 352.47
• CAS Registry Number: 121606-18-6
• SMILES: C=C[C@@]1(C)CC(=O)[C@@]3(O)[C@](C)(O1)[C@@H](O)[C@@H](O)[C@H]2C(C)(C)CCC[C@@]23C
• InChI: 1S/C20H32O5/c1-7-17(4)11-12(21)20(24)18(5)10-8-9-16(2,3)14(18)13(22)15(23)19(20,6)25-17/h7,13-15,22-24H,1,8-11H2,2-6H3/t13-,14-,15-,17-,18-,19+,20-/m0/s1
• InChIKey: BEXJRVNGEWHUJR-FTFGDVISSA-N

Properties

• Density: 1.212g/cm³ (Cal.)
• Boiling point: 473.181°C at 760 mmHg (Cal.)
• Flash point: 159.753°C (Cal.)
• Refractive index: 1.577 (Cal.)