1-Hydroxy-13-[(3R,4S,5R)-4-Hydroxy-5-(Hydroxymethyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxypyrrolidin-2-Yl]Tridecan-5-One
[CAS# 190317-46-5]

Identification

• Name: 1-Hydroxy-13-[(3R,4S,5R)-4-Hydroxy-5-(Hydroxymethyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxypyrrolidin-2-Yl]Tridecan-5-One
• Synonyms: 1-Hydroxy-13-[(3R,4S,5R)-4-Hydroxy-5-(Hydroxymethyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Pyrrolidin-2-Yl]Tridecan-5-One; 1-Hydroxy-13-[(3R,4S,5R)-4-Hydroxy-5-(Hydroxymethyl)-3-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2-Pyrrolidinyl]Tridecan-5-One; 1-Hydroxy-13-[(3R,4S,5R)-4-Hydroxy-5-Methylol-3-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Pyrrolidin-2-Yl]Tridecan-5-One
• Molecular Formula: C₂₄H₄₅NO₁₀
• Molecular Weight: 507.62
• CAS Registry Number: 190317-46-5
• SMILES: [C@H]2(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)[C@@H](O)[C@H](NC2CCCCCCCCC(=O)CCCCO)CO
• InChI: 1S/C24H45NO10/c26-12-8-7-10-15(29)9-5-3-1-2-4-6-11-16-23(19(30)17(13-27)25-16)35-24-22(33)21(32)20(31)18(14-28)34-24/h16-28,30-33H,1-14H2/t16?,17-,18-,19+,20-,21+,22-,23-,24+/m1/s1
• InChIKey: XRCYKIVYVCRJAM-OWASOCSESA-N

Properties

• Density: 1.309g/cm³ (Cal.)
• Boiling point: 761.203°C at 760 mmHg (Cal.)
• Flash point: 414.161°C (Cal.)