Everolimus Ring-Opening Impurity
[CAS# 1708118-13-1]

Identification

• Name: Everolimus Ring-Opening Impurity
• Synonyms: [(E,2R,3S,6R)-1-[(1S,3R,4R)-4-(2-hydroxyethoxy)-3-methoxycyclohexyl]-2,6,8-trimethyl-5,9-dioxonon-7-en-3-yl] (2S)-1-[2-[(2R,3R,6S)-6-[(2S,3E,5E,7E,9S,11R)-2,13-dimethoxy-3,9,11-trimethyl-12-oxotrideca-3,5,7-trienyl]-2-hydroxy-3-methyloxan-2-yl]-2-oxoacetyl]piperidine-2-carboxylate
• Molecular Formula: C₅₃H₈₃NO₁₄
• Molecular Weight: 958.22
• CAS Registry Number: 1708118-13-1
• SMILES: C[C@@H]1CC[C@H](O[C@]1(C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H](CC(=O)[C@H](C)/C=C(\C)/C=O)[C@H](C)C[C@@H]3CC[C@H]([C@@H](C3)OC)OCCO)O)C[C@@H](/C(=C/C=C/C=C/[C@@H](C)C[C@@H](C)C(=O)COC)/C)OC

Properties

• Density: 1.2±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.537, Calc.^*
• Boiling Point: 954.8±75.0 ºC (760 mmHg), Calc.^*
• Flash Point: 531.3±37.1 ºC, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.