Ethchlorvynol Glucuronide
[CAS# 56050-11-4]

Identification

• Name: Ethchlorvynol Glucuronide
• Synonyms: (2S,3S,4S,5R,6S)-6-[(E)-3-Chloro-1-Ethyl-1-Ethynyl-Prop-2-Enoxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-6-[(E)-3-Chloro-1-Ethyl-1-Ethynylprop-2-Enoxy]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6S)-6-[(E)-1-Chloro-3-Ethyl-Pent-1-En-4-Yn-3-Yl]Oxy-3,4,5-Trihydroxy-Oxane-2-Carboxylic Acid
• Molecular Formula: C₁₃H₁₇ClO₇
• Molecular Weight: 320.73
• CAS Registry Number: 56050-11-4
• SMILES: [C@H]1(OC(\C=C\Cl)(C#C)CC)[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)C(=O)O
• InChI: 1S/C13H17ClO7/c1-3-13(4-2,5-6-14)21-12-9(17)7(15)8(16)10(20-12)11(18)19/h1,5-10,12,15-17H,4H2,2H3,(H,18,19)/b6-5+/t7-,8-,9+,10-,12-,13?/m0/s1
• InChIKey: QVPCVYXUELXQBC-KHPYKDKZSA-N