(3bS,7R)-7-[(beta-D-Glucopyranosyloxy)Methyl]-4,5,6,7,8,9,10,10aalpha,10b,11-Decahydro-6beta,7,10alpha-Trihydroxy-10bbeta-Methyl-5abeta,8beta-Methano-5aH-Cyclohepta[5,6]Naphtho[2,1-b]Furan-12(3bH)-One
[CAS# 55465-97-9]

Identification

• Name: (3bS,7R)-7-[(beta-D-Glucopyranosyloxy)Methyl]-4,5,6,7,8,9,10,10aalpha,10b,11-Decahydro-6beta,7,10alpha-Trihydroxy-10bbeta-Methyl-5abeta,8beta-Methano-5aH-Cyclohepta[5,6]Naphtho[2,1-b]Furan-12(3bH)-One
• Synonyms: Mascaroside
• Molecular Formula: C₂₆H₃₆O₁₁
• Molecular Weight: 524.56
• CAS Registry Number: 55465-97-9
• SMILES: [C@]145[C@H]([C@]3([C@H](CC1)C2=C(OC=C2)C(=O)C3)C)[C@@H](O)C[C@H](C4)[C@](O)([C@@H]5O)CO[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO
• InChI: 1S/C26H36O11/c1-24-8-15(29)20-12(3-5-35-20)13(24)2-4-25-7-11(6-14(28)21(24)25)26(34,23(25)33)10-36-22-19(32)18(31)17(30)16(9-27)37-22/h3,5,11,13-14,16-19,21-23,27-28,30-34H,2,4,6-10H2,1H3/t11-,13-,14+,16-,17-,18+,19-,21+,22-,23-,24-,25-,26+/m1/s1
• InChIKey: SJBDVPKAXKLGPV-UKNYEQEFSA-N

Properties

• Density: 1.571g/cm³ (Cal.)
• Boiling point: 751.619°C at 760 mmHg (Cal.)
• Flash point: 408.364°C (Cal.)