12-(1-Pyrenedodecanoyl)Sphingosylgalactosyl-O-3-Sulfate
[CAS# 111682-15-6]

Identification

• Name: 12-(1-Pyrenedodecanoyl)Sphingosylgalactosyl-O-3-Sulfate
• Synonyms: [(E,1R)-1-[(1S)-1-(12-Pyren-1-Yldodecanoylamino)-2-[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Ethyl]Hexadec-2-Enyl] Hydrogen Sulfate; [(E,1R)-1-[(1S)-1-[[1-Oxo-12-(1-Pyrenyl)Dodecyl]Amino]-2-[[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]Ethyl]Hexadec-2-Enyl] Hydrogen Sulfate; [(E,1R)-1-[(1S)-1-(12-Pyren-1-Yldodecanoylamino)-2-[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Ethyl]Hexadec-2-Enyl] Hydrogen Sulfate
• Molecular Formula: C₅₂H₇₇NO₁₁S
• Molecular Weight: 924.24
• CAS Registry Number: 111682-15-6
• SMILES: [C@H]1(O[C@@H]([C@H](O)[C@H](O)[C@H]1O)CO)OC[C@H](NC(=O)CCCCCCCCCCCC4=C5C3=C2C(=CC=CC2=CC=C3C=C4)C=C5)[C@H](O[S](=O)(=O)O)\C=C\CCCCCCCCCCCCC
• InChI: 1S/C52H77NO11S/c1-2-3-4-5-6-7-8-9-10-13-16-19-22-28-44(64-65(59,60)61)43(37-62-52-51(58)50(57)49(56)45(36-54)63-52)53-46(55)29-23-20-17-14-11-12-15-18-21-25-38-30-31-41-33-32-39-26-24-27-40-34-35-42(38)48(41)47(39)40/h22,24,26-28,30-35,43-45,49-52,54,56-58H,2-21,23,25,29,36-37H2,1H3,(H,53,55)(H,59,60,61)/b28-22+/t43-,44+,45+,49-,50-,51+,52+/m0/s1
• InChIKey: KAAPLLYVKMKPBO-AKSXTAOYSA-N

Properties

• Density: 1.232g/cm³ (Cal.)