Trichorabdal B
[CAS# 79859-42-0]

Identification

• Name: Trichorabdal B
• Synonyms: Brn 5778781; Nsc 639447; Spiro(Cyclohexane-1,4'(3'H)-(1H-7,9A)Methanocyclohepta(C)Pyran)-2-Carboxaldehyde, 3-((Acetyloxy)Methyl)Hexahydro-5'-Hydroxy-3-Methyl-8'-Methylene-1',9'-Dioxo-, (4'R-(4'-Alpha(2R*,3R*),4'A-Alpha,5'-Beta,7'-Beta,9'A-Beta))-
• Molecular Formula: C₂₂H₂₈O₇
• Molecular Weight: 404.46
• CAS Registry Number: 79859-42-0
• SMILES: [C@@H]23[C@]1(C(=O)C([C@H](C1)C[C@@H]2O)=C)C(OCC34C([C@@](CCC4)(COC(=O)C)C)C=O)=O
• InChI: 1S/C22H28O7/c1-12-14-7-15(25)17-21(11-29-19(27)22(17,8-14)18(12)26)6-4-5-20(3,16(21)9-23)10-28-13(2)24/h9,14-17,25H,1,4-8,10-11H2,2-3H3/t14-,15-,16?,17+,20-,21?,22+/m0/s1
• InChIKey: BUJZGALXYNSLEB-LNMOHGOKSA-N

Properties

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