2-[(8S)-8-Acetyloxy-12-Hydroxy-2-[(2S,3R)-2-Methyl-3-[(Z)-Prop-1-Enyl]Oxiran-2-Yl]-4,11-Dioxo-9,10-Dihydro-8H-Naphtho[7,6-H]Chromen-5-Yl]Acetic Acid
[CAS# 129966-45-6]

Identification

• Name: 2-[(8S)-8-Acetyloxy-12-Hydroxy-2-[(2S,3R)-2-Methyl-3-[(Z)-Prop-1-Enyl]Oxiran-2-Yl]-4,11-Dioxo-9,10-Dihydro-8H-Naphtho[7,6-H]Chromen-5-Yl]Acetic Acid
• Synonyms: 2-[(8S)-8-Acetoxy-12-Hydroxy-2-[(2S,3R)-2-Methyl-3-[(Z)-Prop-1-Enyl]Oxiran-2-Yl]-4,11-Dioxo-9,10-Dihydro-8H-Naphtho[7,6-H]Chromen-5-Yl]Acetic Acid; 2-[(8S)-8-Acetoxy-12-Hydroxy-2-[(2S,3R)-2-Methyl-3-[(Z)-Prop-1-Enyl]-2-Oxiranyl]-4,11-Dioxo-9,10-Dihydro-8H-Naphtho[7,6-H]Chromen-5-Yl]Acetic Acid; 2-[(8S)-8-Acetoxy-12-Hydroxy-4,11-Diketo-2-[(2S,3R)-2-Methyl-3-[(Z)-Prop-1-Enyl]Oxiran-2-Yl]-9,10-Dihydro-8H-Naphtho[7,6-H]Chromen-5-Yl]Acetic Acid
• Molecular Formula: C₂₇H₂₄O₉
• Molecular Weight: 492.48
• CAS Registry Number: 129966-45-6
• SMILES: [C@]1(O[C@@H]1\C=C/C)(C3=CC(=O)C2=C(C=C4C(=C2O3)C(=C5C(=C4)[C@@H](OC(=O)C)CCC5=O)O)CC(=O)O)C
• InChI: 1S/C27H24O9/c1-4-5-19-27(3,36-19)20-11-17(30)22-14(10-21(31)32)8-13-9-15-18(34-12(2)28)7-6-16(29)24(15)25(33)23(13)26(22)35-20/h4-5,8-9,11,18-19,33H,6-7,10H2,1-3H3,(H,31,32)/b5-4-/t18-,19+,27-/m0/s1
• InChIKey: GMKMVBAGONGKOV-ANGZKDRVSA-N

Properties

• Density: 1.491g/cm³ (Cal.)
• Boiling point: 736.472°C at 760 mmHg (Cal.)
• Flash point: 250.449°C (Cal.)