(2E)-2-Methyl-2-Butenoic acid (1R,4R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-((acetyloxy)methyl)-5-((2S)-2-(2,5-dihydro-5-oxo-3-furanyl)-2-hydroxyethyl)octahydro-5,6-dimethylspiro(naphthalene-1(2H),2'-oxiran)-4-yl ester
[CAS# 78798-40-0]

Identification

• Name: (2E)-2-Methyl-2-Butenoic acid (1R,4R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-((acetyloxy)methyl)-5-((2S)-2-(2,5-dihydro-5-oxo-3-furanyl)-2-hydroxyethyl)octahydro-5,6-dimethylspiro(naphthalene-1(2H),2'-oxiran)-4-yl ester
• Synonyms: [(1R,4R,4Ar,5S,7R,8S,8Ar)-5-Acetoxy-4A-(Acetoxymethyl)-8-[(2S)-2-Hydroxy-2-(5-Oxo-2H-Furan-3-Yl)Ethyl]-7,8-Dimethyl-Spiro[Decalin-4,2'-Oxirane]-1-Yl] (E)-2-Methylbut-2-Enoate; (E)-2-Methylbut-2-Enoic Acid [(1R,4R,4Ar,5S,7R,8S,8Ar)-5-Acetoxy-4A-(Acetoxymethyl)-8-[(2S)-2-Hydroxy-2-(5-Oxo-2H-Furan-3-Yl)Ethyl]-7,8-Dimethyl-1-Spiro[Decalin-4,2'-Oxirane]Yl] Ester; (E)-2-Methylbut-2-Enoic Acid [(1R,4R,4Ar,5S,7R,8S,8Ar)-5-Acetoxy-4A-(Acetoxymethyl)-8-[(2S)-2-Hydroxy-2-(5-Keto-2H-Furan-3-Yl)Ethyl]-7,8-Dimethyl-Spiro[Decalin-4,2'-Oxirane]-1-Yl] Ester
• Molecular Formula: C₂₉H₄₀O₁₀
• Molecular Weight: 548.63
• CAS Registry Number: 78798-40-0
• SMILES: [C@@]23([C@@H]([C@](C[C@@H](C1=CC(=O)OC1)O)(C)[C@@H](C[C@@H]2OC(=O)C)C)[C@H](OC(C(=C/C)/C)=O)CC[C@@]34OC4)COC(=O)C
• InChI: 1S/C29H40O10/c1-7-16(2)26(34)39-22-8-9-28(14-37-28)29(15-36-18(4)30)23(38-19(5)31)10-17(3)27(6,25(22)29)12-21(32)20-11-24(33)35-13-20/h7,11,17,21-23,25,32H,8-10,12-15H2,1-6H3/b16-7+/t17-,21+,22-,23+,25-,27+,28+,29-/m1/s1
• InChIKey: HZPBAEMQRBYDPW-CJARLIFWSA-N

Properties

• Density: 1.267g/cm³ (Cal.)
• Boiling point: 663.281°C at 760 mmHg (Cal.)
• Flash point: 210.635°C (Cal.)