Myriceron Caffeoyl Ester
[CAS# 142877-49-4]

Identification

• Name: Myriceron Caffeoyl Ester
• Synonyms: (4As,6Ar,6Ar,6Br,8Ar,12Ar,14Bs)-6A-[[(E)-3-(3,4-Dihydroxyphenyl)-1-Oxoprop-2-Enoxy]Methyl]-2,2,6B,9,9,12A-Hexamethyl-10-Oxo-3,4,5,6,6A,7,8,8A,11,12,13,14B-Dodecahydro-1H-Picene-4A-Carboxylic Acid; (4As,6Ar,6Ar,6Br,8Ar,12Ar,14Bs)-6A-[[(E)-3-(3,4-Dihydroxyphenyl)Acryloyl]Oxymethyl]-10-Keto-2,2,6B,9,9,12A-Hexamethyl-3,4,5,6,6A,7,8,8A,11,12,13,14B-Dodecahydro-1H-Picene-4A-Carboxylic Acid; 27((3-(3,4-Dihydroxyphenyl)-1-Oxo-2-Propenyl)Oxy)-3-Oxoolean-12-En-28-Oic Acid
• Molecular Formula: C₃₉H₅₂O₇
• Molecular Weight: 632.84
• CAS Registry Number: 142877-49-4
• SMILES: [C@]25(C(=CC[C@@H]3[C@]1(CCC(C([C@@H]1CC[C@@]23C)(C)C)=O)C)[C@@H]4CC(C)(C)CC[C@@]4(CC5)C(=O)O)COC(/C=C/C6=CC=C(O)C(=C6)O)=O
• InChI: 1S/C39H52O7/c1-34(2)17-18-38(33(44)45)19-20-39(23-46-32(43)12-8-24-7-10-27(40)28(41)21-24)25(26(38)22-34)9-11-30-36(5)15-14-31(42)35(3,4)29(36)13-16-37(30,39)6/h7-10,12,21,26,29-30,40-41H,11,13-20,22-23H2,1-6H3,(H,44,45)/b12-8+/t26-,29-,30+,36-,37+,38-,39-/m0/s1
• InChIKey: RHAKBYCTYSBWIE-QWZNMBRFSA-N

Properties

• Density: 1.242g/cm³ (Cal.)
• Boiling point: 751.395°C at 760 mmHg (Cal.)
• Flash point: 227.359°C (Cal.)