Staphyloxanthin
[CAS# 71869-01-7]

Identification

• Name: Staphyloxanthin
• Synonyms: [(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl] (2E,4E,8E,10E,12E,14E,16E,18E)-6-[(Z)-1-Formyl-11-Methyl-Tridec-2-Enyl]-2,6,11,15,19,23-Hexamethyl-Tetracosa-2,4,8,10,12,14,16,18,22-Nonaenoate; (2E,4E,8E,10E,12E,14E,16E,18E)-6-[(Z)-1-Formyl-11-Methyltridec-2-Enyl]-2,6,11,15,19,23-Hexamethyltetracosa-2,4,8,10,12,14,16,18,22-Nonaenoic Acid [(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl] Ester; (2E,4E,8E,10E,12E,14E,16E,18E)-6-[(Z)-1-Formyl-11-Methyl-Tridec-2-Enyl]-2,6,11,15,19,23-Hexamethyl-Tetracosa-2,4,8,10,12,14,16,18,22-Nonaenoic Acid [(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl] Ester
• Molecular Formula: C₅₁H₇₈O₈
• Molecular Weight: 819.17
• CAS Registry Number: 71869-01-7
• SMILES: [C@@H]1(O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)OC(=O)C(=C/C=C/C(C(\C=C/CCCCCCCC(CC)C)C=O)(C\C=C\C=C(\C=C\C=C(\C=C\C=C(\CCC=C(C)C)C)C)C)C)/C
• InChI: 1S/C51H78O8/c1-10-39(4)25-16-14-12-11-13-15-17-33-44(36-52)51(9,35-23-32-43(8)49(57)59-50-48(56)47(55)46(54)45(37-53)58-50)34-19-18-26-40(5)28-21-30-42(7)31-22-29-41(6)27-20-24-38(2)3/h17-19,21-24,26,28-33,35-36,39,44-48,50,53-56H,10-16,20,25,27,34,37H2,1-9H3/b19-18+,28-21+,31-22+,33-17-,35-23+,40-26+,41-29+,42-30+,43-32+/t39?,44?,45-,46-,47+,48-,50-,51?/m1/s1
• InChIKey: ZGBLADNGFNFPBV-OQMOJWPESA-N

Properties

• Density: 1.066g/cm³ (Cal.)
• Boiling point: 896.413°C at 760 mmHg (Cal.)
• Flash point: 246.635°C (Cal.)