(2S)-2-(Hydroxymethyl)-2,5,7-Trimethyl-6-[2-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyethyl]-3H-Inden-1-One
[CAS# 35910-15-7]

Identification

• Name: (2S)-2-(Hydroxymethyl)-2,5,7-Trimethyl-6-[2-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyethyl]-3H-Inden-1-One
• Synonyms: (2S)-2-(Hydroxymethyl)-2,5,7-Trimethyl-6-[2-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxyethyl]Indan-1-One; (2S)-2-(Hydroxymethyl)-2,5,7-Trimethyl-6-[2-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]Ethyl]-1-Indanone; (2S)-2,5,7-Trimethyl-2-Methylol-6-[2-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxyethyl]Indan-1-One
• Molecular Formula: C₂₁H₃₀O₈
• Molecular Weight: 410.46
• CAS Registry Number: 35910-15-7
• SMILES: [C@@H]1([C@@H](O[C@@H]([C@@H](O)[C@@H]1O)CO)OCCC3=C(C2=C(C[C@](C2=O)(CO)C)C=C3C)C)O
• InChI: 1S/C21H30O8/c1-10-6-12-7-21(3,9-23)19(27)15(12)11(2)13(10)4-5-28-20-18(26)17(25)16(24)14(8-22)29-20/h6,14,16-18,20,22-26H,4-5,7-9H2,1-3H3/t14-,16-,17+,18-,20-,21+/m1/s1
• InChIKey: UTBLUTBCAVVCIO-HPCBLLCTSA-N

Properties

• Density: 1.39g/cm³ (Cal.)
• Boiling point: 662.865°C at 760 mmHg (Cal.)
• Flash point: 230.894°C (Cal.)