(4S,4aS,7R,7aR,8R,11aS,12aS)-4-(3-Furanyl)dodecahydro-4a,7a,9,9-tetramethyl-13-methylene-2,10-dioxo-7,12a-Methano-2H,4H-pyrano[4,3-b][1]benzoxocin-8-acetic acid methyl ester
[CAS# 2629-14-3]

Identification

• Name: (4S,4aS,7R,7aR,8R,11aS,12aS)-4-(3-Furanyl)dodecahydro-4a,7a,9,9-tetramethyl-13-methylene-2,10-dioxo-7,12a-Methano-2H,4H-pyrano[4,3-b][1]benzoxocin-8-acetic acid methyl ester
• Synonyms: Nsc117177
• Molecular Formula: C₂₇H₃₄O₇
• Molecular Weight: 470.56
• CAS Registry Number: 2629-14-3
• SMILES: C5=C(C2OC(=O)CC13OC4C(C(C1=C)CCC23C)(C(C(C(=O)C4)(C)C)CC(OC)=O)C)C=CO5
• InChI: 1S/C27H34O7/c1-15-17-7-9-25(4)23(16-8-10-32-14-16)33-22(30)13-27(15,25)34-20-12-19(28)24(2,3)18(26(17,20)5)11-21(29)31-6/h8,10,14,17-18,20,23H,1,7,9,11-13H2,2-6H3
• InChIKey: YNMYHRYTRCKSMI-UHFFFAOYSA-N

Properties

• Density: 1.238g/cm³ (Cal.)
• Boiling point: 592.104°C at 760 mmHg (Cal.)
• Flash point: 311.893°C (Cal.)