(Z)-2-Methyl-2-Butenoic Acid (3aR,4R,6R,10Z,11aR)-2,3,3a,4,5,6,7,11alpha-Octahydro-10-Hydroxymethyl-6-Methyl-3-Methylene-2,7-Dioxo-6,9-Epoxycyclodeca[b]Furan-4-Yl Ester
[CAS# 59481-48-0]

Identification

• Name: (Z)-2-Methyl-2-Butenoic Acid (3aR,4R,6R,10Z,11aR)-2,3,3a,4,5,6,7,11alpha-Octahydro-10-Hydroxymethyl-6-Methyl-3-Methylene-2,7-Dioxo-6,9-Epoxycyclodeca[b]Furan-4-Yl Ester
• Synonyms: Budlein A; C09351; 2-Butenoic Acid, 2-Methyl-, 2,3,3A,4,5,6,7,11-Octahydro-10-(Hydroxymethyl)-6-Methyl-3-Methylene-2,7-Dioxo-6,9-Epoxycyclodeca(B)Furan-4-Yl Ester, (3Ar-(3Ar*,4R*(Z),6R*,10Z,11Ar))-
• Molecular Formula: C₂₀H₂₂O₇
• Molecular Weight: 374.39
• CAS Registry Number: 59481-48-0
• SMILES: [C@@]13(OC(=CC1=O)C(=C/[C@@H]2[C@H](C(=C)C(O2)=O)[C@@H](C3)OC(C(=C/C)\C)=O)\CO)C
• InChI: 1S/C20H22O7/c1-5-10(2)18(23)26-15-8-20(4)16(22)7-13(27-20)12(9-21)6-14-17(15)11(3)19(24)25-14/h5-7,14-15,17,21H,3,8-9H2,1-2,4H3/b10-5-,12-6-/t14-,15-,17+,20-/m1/s1
• InChIKey: BMVJFNLJSZHNNS-ZXRHVTAXSA-N

Properties

• Density: 1.316g/cm³ (Cal.)
• Boiling point: 625.687°C at 760 mmHg (Cal.)
• Flash point: 223.734°C (Cal.)