13,20-Epoxy-2,11beta,12alpha-Trihydroxy-15beta-[[2-(1-Hydroxyethyl)-3-Methyl-1-Oxo-2-Butenyl]Oxy]-3,16-Dioxopicrasa-1,4-Dien-21-Oic Acid Methyl Ester
[CAS# 53663-02-8]

Identification

• Name: 13,20-Epoxy-2,11beta,12alpha-Trihydroxy-15beta-[[2-(1-Hydroxyethyl)-3-Methyl-1-Oxo-2-Butenyl]Oxy]-3,16-Dioxopicrasa-1,4-Dien-21-Oic Acid Methyl Ester
• Synonyms: Nsc238180
• Molecular Formula: C₂₈H₃₄O₁₂
• Molecular Weight: 562.57
• CAS Registry Number: 53663-02-8
• SMILES: CC3=C2CC1OC(=O)C(OC(=O)C(C(O)C)=C(C)C)C4C15C(C2(C=C(O)C3=O)C)C(C(C4(OC5)C(OC)=O)O)O
• InChI: 1S/C28H34O12/c1-10(2)16(12(4)29)23(34)40-19-21-27-9-38-28(21,25(36)37-6)22(33)18(32)20(27)26(5)8-14(30)17(31)11(3)13(26)7-15(27)39-24(19)35/h8,12,15,18-22,29-30,32-33H,7,9H2,1-6H3
• InChIKey: CFHBLZPGWLLCCS-UHFFFAOYSA-N

Properties

• Density: 1.488g/cm³ (Cal.)
• Boiling point: 796.104°C at 760 mmHg (Cal.)
• Flash point: 262.584°C (Cal.)