(1R,4aR,4bR,10aR)-7-Isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
[CAS# 10248-55-2]

Identification

• Name: (1R,4aR,4bR,10aR)-7-Isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
• Synonyms: (1R,4Ar,4Br,10Ar)-7-Isopropyl-1,4A-Dimethyl-2,3,4,4B,5,6,10,10A-Octahydrophenanthrene-1-Carboxylate; Chebi:35680; Abieta-7,13-Dien-18-Oate
• Molecular Formula: C₂₀H₂₉O₂
• Molecular Weight: 301.45
• CAS Registry Number: 10248-55-2
• EINECS: 233-584-2
• SMILES: [C@]12([C@H]([C@@](CCC1)(C([O-])=O)C)CC=C3[C@@H]2CCC(=C3)C(C)C)C
• InChI: 1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/p-1/t16-,17+,19+,20+/m0/s1
• InChIKey: RSWGJHLUYNHPMX-ONCXSQPRSA-M

Properties

• Boiling point: 439.457°C at 760 mmHg (Cal.)
• Flash point: 208.124°C (Cal.)