(1R,2R,5S,8S,9S,10R,11S,12S)-5,12-Dihydroxy-11-Methyl-6-Methylene-16-Oxo-15-Oxapentacyclo[9.3.2.1^5,8.0^1,10.0^2,8]Heptadec-13-Ene-9-Carboxylic Acid - N-Hexadecyl-L-Lysinamide (1:1)
[CAS# 14391-03-8]

Identification

• Name: (1R,2R,5S,8S,9S,10R,11S,12S)-5,12-Dihydroxy-11-Methyl-6-Methylene-16-Oxo-15-Oxapentacyclo[9.3.2.1^5,8.0^1,10.0^2,8]Heptadec-13-Ene-9-Carboxylic Acid - N-Hexadecyl-L-Lysinamide (1:1)
• Synonyms: gallium-71
• Molecular Formula: C₄₁H₆₉N₃O₇
• Molecular Weight: 716.00
• CAS Registry Number: 14391-03-8
• SMILES: CCCCCCCCCCCCCCCCNC(=O)[C@H](CCCCN)N.C[C@@]12[C@H](C=C[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)O)OC2=O)O
• InChI: 1S/C22H47N3O.C19H22O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-25-22(26)21(24)18-15-16-19-23;1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h21H,2-20,23-24H2,1H3,(H,25,26);4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t21-;10-,11+,12-,13-,16-,17+,18+,19-/m01/s1
• InChIKey: UAYCSNCYFDSUIE-HFMLJINRSA-N

Properties

• Refractive index: (Cal.)