1,2,4a,5,6,7,8,8a-Octahydro-2-(2-(hexopyranosyloxy)-4-hydroxy-3,5-dimethyl-5-octenyl)-beta-oxo-1,3,6,8-tetramethyl-1-Naphthalenepropanal
[CAS# 139953-58-5]

Identification

• Name: 1,2,4a,5,6,7,8,8a-Octahydro-2-(2-(hexopyranosyloxy)-4-hydroxy-3,5-dimethyl-5-octenyl)-beta-oxo-1,3,6,8-tetramethyl-1-Naphthalenepropanal
• Synonyms: 3-[(1R,2S,4Ar,6S,8R,8As)-2-[(E,2S,3R,4S)-4-Hydroxy-3,5-Dimethyl-2-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Oct-5-Enyl]-1,3,6,8-Tetramethyl-4A,5,6,7,8,8A-Hexahydro-2H-Naphthalen-1-Yl]-3-Oxo-Propanal; 3-[(1R,2S,4Ar,6S,8R,8As)-2-[(E,2S,3R,4S)-4-Hydroxy-3,5-Dimethyl-2-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]Oct-5-Enyl]-1,3,6,8-Tetramethyl-4A,5,6,7,8,8A-Hexahydro-2H-Naphthalen-1-Yl]-3-Oxopropanal; 3-[(1R,2S,4Ar,6S,8R,8As)-2-[(E,2S,3R,4S)-4-Hydroxy-3,5-Dimethyl-2-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Oct-5-Enyl]-1,3,6,8-Tetramethyl-4A,5,6,7,8,8A-Hexahydro-2H-Naphthalen-1-Yl]-3-Keto-Propionaldehyde
• Molecular Formula: C₃₃H₅₄O₉
• Molecular Weight: 594.78
• CAS Registry Number: 139953-58-5
• SMILES: [C@]1([C@H](C(=C[C@@H]2[C@@H]1[C@@H](C[C@H](C)C2)C)C)C[C@H](O[C@H]3[C@@H]([C@@H](O)[C@@H]([C@H](O3)CO)O)O)[C@@H]([C@@H](/C(=C/CC)C)O)C)(C(=O)CC=O)C
• InChI: 1S/C33H54O9/c1-8-9-18(3)28(37)21(6)24(41-32-31(40)30(39)29(38)25(16-35)42-32)15-23-19(4)14-22-13-17(2)12-20(5)27(22)33(23,7)26(36)10-11-34/h9,11,14,17,20-25,27-32,35,37-40H,8,10,12-13,15-16H2,1-7H3/b18-9+/t17-,20+,21-,22+,23-,24-,25+,27-,28+,29+,30-,31+,32+,33+/m0/s1
• InChIKey: BKXWBAOGONGQJL-LFYCWKIZSA-N

Properties

• Density: 1.195g/cm³ (Cal.)
• Boiling point: 742.608°C at 760 mmHg (Cal.)
• Flash point: 227.969°C (Cal.)