Trichorabdal C
[CAS# 85345-62-6]

Identification

• Name: Trichorabdal C
• Synonyms: Spiro(Cyclohexane-1,4'(3'H)-(1H-7,9A)Methanocyclohepta(C)Pyran)-2-Carboxaldehyde, 3-((Acetyloxy)Methyl)Hexahydro-4-Hydroxy-3-Methyl-8'-Methylene-1',9'-Dioxo-, (4R-(4'-Alpha(2S*,3R*,4S*),4'A-Alpha,7'-Beta,9'A-Beta))-; Trichorabdal C
• Molecular Formula: C₂₂H₂₈O₇
• Molecular Weight: 404.46
• CAS Registry Number: 85345-62-6
• SMILES: C(C4(C(C3(C2C1(C(C(=C)C(C1)CC2)=O)C(OC3)=O)CCC4O)C=O)C)OC(=O)C
• InChI: 1S/C22H28O7/c1-12-14-4-5-15-21(11-29-19(27)22(15,8-14)18(12)26)7-6-17(25)20(3,16(21)9-23)10-28-13(2)24/h9,14-17,25H,1,4-8,10-11H2,2-3H3
• InChIKey: YEWUHIZLARNQKT-UHFFFAOYSA-N

Properties

• Density: 1.301g/cm³ (Cal.)
• Boiling point: 612.191°C at 760 mmHg (Cal.)
• Flash point: 212.854°C (Cal.)