Methyl 13,14-Epoxyabietate
[CAS# 55154-40-0]

Identification

• Name: Methyl 13,14-Epoxyabietate
• Synonyms: Phenanthro(1,2-B)Oxirene-4-Carboxylic Acid, 1A,3,3A,4,5,6,7,7A,7B,8,9,9A-Dodecahydro-4,7A-Dimethyl-9A-(1-Methylethyl)-, Methyl Ester, (1Ar-(1Aalpha,3Abeta,4Beta,7Aalpha,7Bbeta,9Aalpha))-,
• Molecular Formula: C₂₁H₃₂O₃
• Molecular Weight: 332.48
• CAS Registry Number: 55154-40-0
• SMILES: [C@@]12(O[C@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CCC[C@H]4C(OC)=O)C)C(C)C)C
• InChI: 1S/C21H32O3/c1-13(2)21-12-10-16-17(20(21,4)24-21)9-8-15-14(18(22)23-5)7-6-11-19(15,16)3/h9,13-16H,6-8,10-12H2,1-5H3/t14-,15+,16+,19+,20-,21-/m1/s1
• InChIKey: INTMBKXFXCEBHM-LPLZUFFLSA-N

Properties

• Density: 1.091g/cm³ (Cal.)
• Boiling point: 402.711°C at 760 mmHg (Cal.)
• Flash point: 170.415°C (Cal.)