Methyl 3-[(4R,5S,6R,9R,10R)-4-Isopropenyl-9-Methyltetracyclo[7.2.1.0^1,6.0^8,10]Dodec-5-Yl]Propanoate
[CAS# 138950-24-0]

Identification

• Name: Methyl 3-[(4R,5S,6R,9R,10R)-4-Isopropenyl-9-Methyltetracyclo[7.2.1.0^1,6.0^8,10]Dodec-5-Yl]Propanoate
• Synonyms: 1,2a-Methano-2aH-cyclopropa(b)naphthalene-6-propanoic acid, decahydro-1,6-dimethyl-5-(1-methylethenyl)-, (1R-(1α,1aβ,2aα,5β,6α,6aα,7β))-; 3,4-Secotrachylobanoic acid
• Molecular Formula: C₂₀H₃₀O₂
• Molecular Weight: 302.45
• CAS Registry Number: 138950-24-0
• SMILES: O=C(OC)CC[C@H]1[C@H](\C(=C)C)CCC24C[C@@]3(C(C[C@H]12)[C@H]3C4)C
• InChI: 1S/C20H30O2/c1-12(2)13-7-8-20-10-17-16(19(17,3)11-20)9-15(20)14(13)5-6-18(21)22-4/h13-17H,1,5-11H2,2-4H3/t13-,14-,15+,16?,17+,19+,20?/m0/s1
• InChIKey: YQNPESKMFNFNCE-IXCCLCRESA-N

Properties

• Density: 1.063g/cm³ (Cal.)
• Boiling point: 374.856°C at 760 mmHg (Cal.)
• Flash point: 115.581°C (Cal.)
• Refractive index: 1.529 (Cal.)