(3aR)-2,3,3a,4,5,5a,6,9,10,10abeta-Decahydro-9alpha-Hydroxy-3a,5aalpha-Dimethyl-1-Isopropyl-6-Oxocyclohept[e]Indene-8-Carbaldehyde
[CAS# 51727-84-5]

Identification

• Name: (3aR)-2,3,3a,4,5,5a,6,9,10,10abeta-Decahydro-9alpha-Hydroxy-3a,5aalpha-Dimethyl-1-Isopropyl-6-Oxocyclohept[e]Indene-8-Carbaldehyde
• Synonyms: Cyanthin B3; Nsc310622
• Molecular Formula: C₂₀H₂₈O₃
• Molecular Weight: 316.44
• CAS Registry Number: 51727-84-5
• SMILES: CC23C(C1=C(CCC1(CC2)C)C(C)C)CC(C(=CC3=O)C=O)O
• InChI: 1S/C20H28O3/c1-12(2)14-5-6-19(3)7-8-20(4)15(18(14)19)10-16(22)13(11-21)9-17(20)23/h9,11-12,15-16,22H,5-8,10H2,1-4H3
• InChIKey: HTEKHSBJKOVLAK-UHFFFAOYSA-N

Properties

• Density: 1.124g/cm³ (Cal.)
• Boiling point: 455.208°C at 760 mmHg (Cal.)
• Flash point: 243.226°C (Cal.)