(+)-Calanolide B
[CAS# 142632-33-5]

Identification

• Name: (+)-Calanolide B
• Synonyms: 2H,6H,10H-Benzo[1,2-B:3,4-B':5,6-B'']Tripyran-2-One,11,12-Dihydro-12-Hydroxy-6,6,10,11-Tetramethyl-4-Propyl-,(10R,11S,12R)-; Aids-004465; Aids004465
• Molecular Formula: C₂₂H₂₆O₅
• Molecular Weight: 370.44
• CAS Registry Number: 142632-33-5
• SMILES: [C@@H]4(C2=C(C1=C(OC(C=C1)(C)C)C3=C2OC(C=C3CCC)=O)O[C@@H]([C@H]4C)C)O
• InChI: 1S/C22H26O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h8-12,18,24H,6-7H2,1-5H3/t11-,12-,18-/m1/s1
• InChIKey: NIDRYBLTWYFCFV-SEDUGSJDSA-N

Properties

• Density: 1.181g/cm³ (Cal.)
• Boiling point: 514.837°C at 760 mmHg (Cal.)
• Flash point: 177.197°C (Cal.)