Cedronine
[CAS# 111567-19-2]

Identification

• Name: Cedronine
• Synonyms: (1R-(1Alpha,2Alpha,5Alpha,5Aalpha,6Beta,7Abeta,11Alpha,11Aalpha,11Bbeta,14S*))-1,7,7A,11,11A,11B-Hexahydro-1,6,11-Trihydroxy-8,11,14-Trimethyl-2H-5A,2,5-(Methanoxymethano)Naphth(1,2-D)Oxepin-4,10(5H,6H)-Dione; 2H-5A,2,5-(Methanoxymethano)Naphth(1,2-D)Oxepin-4,10(5H,6H)-Dione, 1,7,7A,11,11A,11B-Hexahydro-1,6,11-Trihydroxy-8,11,14-Trimethyl-, (1R-(1Alpha,2Alpha,5Alpha,5Aalpha,6Beta,7Abeta,11Alpha,11Aalpha,11Bbeta,14S*))-; Cedronin
• Molecular Formula: C₁₉H₂₄O₇
• Molecular Weight: 364.39
• CAS Registry Number: 111567-19-2
• SMILES: CC34OCC15C(C2(C(CC1O)C(=CC(=O)C2O)C)C)C(O)C3OC(=O)C45
• InChI: 1S/C19H24O7/c1-7-4-9(20)14(23)17(2)8(7)5-10(21)19-6-25-18(3)13(19)16(24)26-15(18)11(22)12(17)19/h4,8,10-15,21-23H,5-6H2,1-3H3
• InChIKey: FNBJCARFLWAAPK-UHFFFAOYSA-N

Properties

• Density: 1.492g/cm³ (Cal.)
• Boiling point: 654.94°C at 760 mmHg (Cal.)
• Flash point: 239.188°C (Cal.)