5-[(3aS,5R,6R,6aS)-6-[(E,3S)-7-(3-Azidophenyl)-3-Hydroxyhept-1-Enyl]-5-Hydroxy-1,3a,4,5,6,6a-Hexahydropentalen-2-Yl]Pentanoic Acid
[CAS# 140900-65-8]

Identification

• Name: 5-[(3aS,5R,6R,6aS)-6-[(E,3S)-7-(3-Azidophenyl)-3-Hydroxyhept-1-Enyl]-5-Hydroxy-1,3a,4,5,6,6a-Hexahydropentalen-2-Yl]Pentanoic Acid
• Synonyms: 5-[(3As,5R,6R,6As)-6-[(E,3S)-7-(3-Azidophenyl)-3-Hydroxy-Hept-1-Enyl]-5-Hydroxy-1,3A,4,5,6,6A-Hexahydropentalen-2-Yl]Pentanoic Acid; 5-[(3As,5R,6R,6As)-6-[(E,3S)-7-(3-Azidophenyl)-3-Hydroxy-Hept-1-Enyl]-5-Hydroxy-1,3A,4,5,6,6A-Hexahydropentalen-2-Yl]Valeric Acid; (3H)Apnic
• Molecular Formula: C₂₆H₃₅N₃O₄
• Molecular Weight: 453.58
• CAS Registry Number: 140900-65-8
• SMILES: [N+](=NC1=CC(=CC=C1)CCCC[C@H](O)/C=C/[C@@H]2[C@@H]3[C@H](C[C@H]2O)C=C(C3)CCCCC(=O)O)=[N-]
• InChI: 1S/C26H35N3O4/c27-29-28-21-9-5-8-18(15-21)6-1-3-10-22(30)12-13-23-24-16-19(7-2-4-11-26(32)33)14-20(24)17-25(23)31/h5,8-9,12-15,20,22-25,30-31H,1-4,6-7,10-11,16-17H2,(H,32,33)/b13-12+/t20-,22-,23+,24-,25+/m0/s1
• InChIKey: XKQBJDHJRVDQBU-DHLVSJIASA-N