Thermorubin
[CAS# 11006-83-0]

Identification

• Name: Thermorubin
• Synonyms: 2-[12-Hydroxy-9-[(Z)-3-Hydroxy-3-(2-Hydroxyphenyl)Prop-2-Enoyl]-10,11-Dimethoxy-3-Methoxycarbonyl-1-Oxo-Naphtho[7,6-G]Isochromen-8-Yl]Acetic Acid; 2-[12-Hydroxy-9-[(Z)-3-Hydroxy-3-(2-Hydroxyphenyl)-1-Oxoprop-2-Enyl]-10,11-Dimethoxy-3-Methoxycarbonyl-1-Oxo-8-Naphtho[7,6-G]Isochromenyl]Acetic Acid; 2-[3-Carbomethoxy-12-Hydroxy-9-[(Z)-3-Hydroxy-3-(2-Hydroxyphenyl)Acryloyl]-1-Keto-10,11-Dimethoxy-Naphtho[7,6-G]Isochromen-8-Yl]Acetic Acid
• Molecular Formula: C₃₂H₂₄O₁₂
• Molecular Weight: 600.53
• CAS Registry Number: 11006-83-0 (37577-75-6)
• SMILES: C1=C4C(=C(OC)C2=C(O)C3=C(C=C12)C=C(OC3=O)C(OC)=O)C(=C(C(=C4)CC(=O)O)C(=O)\C=C(O)\C5=C(O)C=CC=C5)OC
• InChI: 1S/C32H24O12/c1-41-29-24(21(35)13-20(34)18-6-4-5-7-19(18)33)17(12-23(36)37)10-15-8-14-9-16-11-22(31(39)43-3)44-32(40)26(16)28(38)25(14)30(42-2)27(15)29/h4-11,13,33-34,38H,12H2,1-3H3,(H,36,37)/b20-13-
• InChIKey: GGEDVBUCHDZLTH-MOSHPQCFSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 941.5±65.0°C at 760 mmHg (Cal.)
• Flash point: 309.4±27.8°C (Cal.)