(3beta,7alpha,14R)-3-(Acetyloxy)-7,9,14-Trihydroxy-Kaur-16-En-15-One
[CAS# 73211-10-6]

Identification

• Name: (3beta,7alpha,14R)-3-(Acetyloxy)-7,9,14-Trihydroxy-Kaur-16-En-15-One
• Synonyms: Nsc607641; Shikoccidin
• Molecular Formula: C₂₂H₃₂O₆
• Molecular Weight: 392.49
• CAS Registry Number: 73211-10-6
• SMILES: [C@]23(O)C1(C(C([C@@H](OC(=O)C)CC1)(C)C)CC(O)C24C(O)C(CC3)C(C4=O)=C)C
• InChI: 1S/C22H32O6/c1-11-13-6-9-21(27)20(5)8-7-16(28-12(2)23)19(3,4)14(20)10-15(24)22(21,17(11)25)18(13)26/h13-16,18,24,26-27H,1,6-10H2,2-5H3/t13?,14?,15?,16-,18?,20?,21+,22?/m0/s1
• InChIKey: GUPYZKQZOPXFIL-NAHZTBSCSA-N

Properties

• Density: 1.28g/cm³ (Cal.)
• Boiling point: 550.587°C at 760 mmHg (Cal.)
• Flash point: 187.793°C (Cal.)