Duclauxin
[CAS# 1732-37-2]

Identification

• Name: Duclauxin
• Synonyms: 7H-8,15B-Methano-1H,3H,12H-Benzo(De)Cyclohepta(1,2-G:3,4,5-D'e')Bis(2)Benzopyran-3,7,12,15(8H)-Tetrone, 16-(Acetyloxy)-8A,15A-Dihydro-4,11-Dihydroxy-8A-Methoxy-6,9-Dimethyl-, (8R-(8Alpha,8Abeta,15Abeta,15Balpha,16S*))-; Duclauxin
• Molecular Formula: C₂₉H₂₂O₁₁
• Molecular Weight: 546.49
• CAS Registry Number: 1732-37-2
• SMILES: [C@@]124[C@@H]7C(OC)(C([C@H]1OC(=O)C)C(=O)C3=C2C(=C(O)C=C3C)C(OC4)=O)C6=C5C(=COC(=O)C5=C(O)C=C6C)C7=O
• InChI: 1S/C29H22O11/c1-9-5-14(32)18-20-15(9)23(34)21-25(40-11(3)30)28(20,8-39-27(18)36)24-22(33)12-7-38-26(35)17-13(31)6-10(2)19(16(12)17)29(21,24)37-4/h5-7,21,24-25,31-32H,8H2,1-4H3/t21?,24-,25-,28-,29?/m1/s1
• InChIKey: WBQDAYWQELBEPU-QDIYHOSKSA-N

Properties

• Density: 1.669g/cm³ (Cal.)
• Boiling point: 890.987°C at 760 mmHg (Cal.)
• Flash point: 302.199°C (Cal.)