(3R,7E,11E,14S)-14-Ethyl-4,10-Dihydroxy-3,7,9,11,13-Pentamethyl-1-Oxacyclotetradeca-7,11-Diene-2,5-Dione
[CAS# 104169-50-8]

Identification

• Name: (3R,7E,11E,14S)-14-Ethyl-4,10-Dihydroxy-3,7,9,11,13-Pentamethyl-1-Oxacyclotetradeca-7,11-Diene-2,5-Dione
• Synonyms: (3R,7E,11E,14S)-14-Ethyl-4,10-Dihydroxy-3,7,9,11,13-Pentamethyl-1-Oxacyclotetradeca-7,11-Diene-2,5-Quinone; Erythronolide A, 6,7,10,11-Tetradehydro-4-Demethyl-9-Deoxo-5,6,11,12-Tetradeoxy-9-Hydroxy-4-Oxo-; Neorustmicin D
• Molecular Formula: C₂₀H₃₂O₅
• Molecular Weight: 352.47
• CAS Registry Number: 104169-50-8
• SMILES: [C@H]1(C(O)C(=O)CC(=C/C(C(O)C(=C/C([C@@H](OC1=O)CC)C)/C)C)/C)C
• InChI: 1S/C20H32O5/c1-7-17-12(3)10-14(5)18(22)13(4)8-11(2)9-16(21)19(23)15(6)20(24)25-17/h8,10,12-13,15,17-19,22-23H,7,9H2,1-6H3/b11-8+,14-10+/t12?,13?,15-,17+,18?,19?/m1/s1
• InChIKey: NSIYKHMKVAGRQL-JLWBZUCHSA-N

Properties

• Density: 1.017g/cm³ (Cal.)
• Boiling point: 540.125°C at 760 mmHg (Cal.)
• Flash point: 184.771°C (Cal.)