Trichorabdal H
[CAS# 20086-59-3]

Identification

• Name: Trichorabdal H
• Synonyms: (4'S-(4'Alpha(2S*,6R*),4'Abeta,5'Alpha,7'Alpha,9'Aalpha))-6-(Acetyloxy)Hexahydro-5'-Hydroxy-3,3-Dimethyl-8'-Methylene-1',9'-Dioxospiro(Cyclohexane-1,4'(3'H)-(1H-7,9A)Methanocyclohepta(C)Pyran)-2-Carboxaldehyde; Spiro(Cyclohexane-1,4'(3'H)-(1H-7,9A)Methanocyclohepta(C)Pyran)-2-Carboxaldehyde, 6-(Acetyloxy)Hexahydro-5'-Hydroxy-3,3-Dimethyl-8'-Methylene-1',9'-Dioxo-, (4'S-(4'Alpha(2S*,6R*),4'Abeta,5'Alpha,7'Alpha,9'Aalpha))-; Spiro(Cyclohexane-1,4'(3'H)-(1H-7,9A)Methanocyclohepta(C)Pyran)-2-Carboxaldehyde, 6-(Acetyloxy)Hexahydro-5'-Hydroxy-3,3-Dimethyl-8'-Methylene-1',9'-Dioxo-, (1S,2R,4'As,5'S,7'S,9'As)-
• Molecular Formula: C₂₂H₂₈O₇
• Molecular Weight: 404.46
• CAS Registry Number: 20086-59-3
• SMILES: CC4(C(C3(C2C1(C(C(=C)C(C1)CC2O)=O)C(OC3)=O)C(OC(=O)C)CC4)C=O)C
• InChI: 1S/C22H28O7/c1-11-13-7-14(25)17-21(8-13,18(11)26)19(27)28-10-22(17)15(9-23)20(3,4)6-5-16(22)29-12(2)24/h9,13-17,25H,1,5-8,10H2,2-4H3
• InChIKey: ORDKVFHKMGUXSQ-UHFFFAOYSA-N

Properties

• Density: 1.299g/cm³ (Cal.)
• Boiling point: 606.1°C at 760 mmHg (Cal.)
• Flash point: 210.472°C (Cal.)