(2R,3S,4R,5R,6S)-6-{[(4aR,7R,7aR)-4a,7-Dihydroxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl]oxy}-2-(dihydroxymethyl)-3-methyltetrahydro-2H-pyran-2,3,4,5-tetrol
[CAS# 88313-36-4]

Identification

• Name: (2R,3S,4R,5R,6S)-6-{[(4aR,7R,7aR)-4a,7-Dihydroxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl]oxy}-2-(dihydroxymethyl)-3-methyltetrahydro-2H-pyran-2,3,4,5-tetrol
• Synonyms: Scabrosidol; β-D-Glucopyranoside, 1,4a,5,6,7,7a-hexahydro-4a,5,6,7-tetrahydroxy-4-methylcyclopenta(c)pyran-1-yl, (1S-(1α,4aα,5α,6β,7α,7aα))-
• Molecular Formula: C₁₅H₂₄O₁₁
• Molecular Weight: 380.34
• CAS Registry Number: 88313-36-4
• SMILES: O1\C=C/[C@]3(O)CC[C@@H](O)[C@H]3C1O[C@H]2O[C@](O)([C@@](O)([C@H](O)[C@H]2O)C)C(O)O
• InChI: 1S/C15H24O11/c1-13(21)9(18)8(17)11(26-15(13,23)12(19)20)25-10-7-6(16)2-3-14(7,22)4-5-24-10/h4-12,16-23H,2-3H2,1H3/t6-,7+,8-,9-,10?,11+,13+,14-,15+/m1/s1
• InChIKey: CSGKJAYLLWZFIO-GAOWBRRBSA-N

Properties

• Density: 1.76g/cm³ (Cal.)
• Boiling point: 651.659°C at 760 mmHg (Cal.)
• Flash point: 347.911°C (Cal.)