(2S,3R,4S)-3-Hydroxy-4-[(2S,5R,7S,8R,9S)-9-Hydroxy-2-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5R,6R)-6-Hydroxy-6-(Hydroxymethyl)-3,5-Dimethyloxan-2-Yl]-3-Methyloxolan-2-Yl]-5-Methyloxolan-2-Yl]-2,8-Dimethyl-1,6-Dioxaspiro[4.5]Decan-7-Yl]-2-Methylpentanoic Acid
[CAS# 109345-56-4]

Identification

• Name: (2S,3R,4S)-3-Hydroxy-4-[(2S,5R,7S,8R,9S)-9-Hydroxy-2-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5R,6R)-6-Hydroxy-6-(Hydroxymethyl)-3,5-Dimethyloxan-2-Yl]-3-Methyloxolan-2-Yl]-5-Methyloxolan-2-Yl]-2,8-Dimethyl-1,6-Dioxaspiro[4.5]Decan-7-Yl]-2-Methylpentanoic Acid
• Synonyms: (2S,3R,4S)-3-Hydroxy-4-[(2S,5R,7S,8R,9S)-9-Hydroxy-2-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5R,6R)-6-Hydroxy-6-(Hydroxymethyl)-3,5-Dimethyl-Tetrahydropyran-2-Yl]-3-Methyl-Tetrahydrofuran-2-Yl]-5-Methyl-Tetrahydrofuran-2-Yl]-2,8-Dimethyl-1,6-Dioxaspiro[4.5]Decan-7-Yl]-2-Methyl-Pentanoic Acid; (2S,3R,4S)-3-Hydroxy-4-[(2S,5R,7S,8R,9S)-9-Hydroxy-2-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5R,6R)-6-Hydroxy-6-(Hydroxymethyl)-3,5-Dimethyl-2-Tetrahydropyranyl]-3-Methyl-2-Tetrahydrofuranyl]-5-Methyl-2-Tetrahydrofuranyl]-2,8-Dimethyl-1,6-Dioxaspiro[4.5]Decan-7-Yl]-2-Methylpentanoic Acid; (2S,3R,4S)-3-Hydroxy-4-[(2S,5R,7S,8R,9S)-9-Hydroxy-2-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5R,6R)-6-Hydroxy-3,5-Dimethyl-6-Methylol-Tetrahydropyran-2-Yl]-3-Methyl-Tetrahydrofuran-2-Yl]-5-Methyl-Tetrahydrofuran-2-Yl]-2,8-Dimethyl-1,6-Dioxaspiro[4.5]Decan-7-Yl]-2-Methyl-Valeric Acid
• Molecular Formula: C₃₄H₅₈O₁₁
• Molecular Weight: 642.83
• CAS Registry Number: 109345-56-4
• SMILES: [C@@H](C(=O)O)([C@@H]([C@@H]([C@H]1O[C@]2(C[C@@H]([C@H]1C)O)CC[C@](O2)([C@@H]3O[C@@](CC3)([C@H]4[C@H](C[C@@H](O4)[C@@H]5[C@H](C[C@H]([C@](O5)(O)CO)C)C)C)C)C)C)O)C
• InChI: 1S/C34H58O11/c1-17-13-19(3)34(40,16-35)44-27(17)24-14-18(2)29(41-24)32(8)10-9-25(42-32)31(7)11-12-33(45-31)15-23(36)20(4)28(43-33)21(5)26(37)22(6)30(38)39/h17-29,35-37,40H,9-16H2,1-8H3,(H,38,39)/t17-,18-,19+,20+,21-,22-,23-,24+,25+,26+,27-,28-,29+,31-,32-,33+,34-/m0/s1
• InChIKey: WUMCYULFRTXIOQ-ITNVIPQQSA-N

Properties

• Density: 1.256g/cm³ (Cal.)
• Boiling point: 773.429°C at 760 mmHg (Cal.)
• Flash point: 236.297°C (Cal.)