6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-Ethyl-5-[(2R,5R,6S)-5-Ethyl-5-Hydroxy-6-Methyloxan-2-Yl]-3-Methyloxolan-2-Yl]-4-Hydroxy-3,5-Dimethyl-6-Oxononyl]-2-Hydroxy-3-Methylbenzoic Acid
[CAS# 37259-88-4]

Identification

• Name: 6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-Ethyl-5-[(2R,5R,6S)-5-Ethyl-5-Hydroxy-6-Methyloxan-2-Yl]-3-Methyloxolan-2-Yl]-4-Hydroxy-3,5-Dimethyl-6-Oxononyl]-2-Hydroxy-3-Methylbenzoic Acid
• Synonyms: 6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-Ethyl-5-[(2R,5R,6S)-5-Ethyl-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]-3-Methyl-Tetrahydrofuran-2-Yl]-4-Hydroxy-3,5-Dimethyl-6-Oxo-Nonyl]-2-Hydroxy-3-Methyl-Benzoic Acid; 6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-Ethyl-5-[(2R,5R,6S)-5-Ethyl-5-Hydroxy-6-Methyl-2-Tetrahydropyranyl]-3-Methyl-2-Tetrahydrofuranyl]-4-Hydroxy-3,5-Dimethyl-6-Oxononyl]-2-Hydroxy-3-Methylbenzoic Acid; 6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-Ethyl-5-[(2R,5R,6S)-5-Ethyl-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]-3-Methyl-Tetrahydrofuran-2-Yl]-4-Hydroxy-6-Keto-3,5-Dimethyl-Nonyl]-2-Hydroxy-3-Methyl-Benzoic Acid
• Molecular Formula: C₃₄H₅₄O₈
• Molecular Weight: 590.80
• CAS Registry Number: 37259-88-4
• SMILES: [C@@]3([C@@H]1O[C@H]([C@](CC)(O)CC1)C)(O[C@H]([C@H](C([C@H]([C@H]([C@@H](CCC2=CC=C(C(=C2C(O)=O)O)C)C)O)C)=O)CC)[C@H](C3)C)CC
• InChI: 1S/C34H54O8/c1-9-25(31-21(6)18-34(11-3,42-31)26-16-17-33(40,10-2)23(8)41-26)30(37)22(7)28(35)19(4)12-14-24-15-13-20(5)29(36)27(24)32(38)39/h13,15,19,21-23,25-26,28,31,35-36,40H,9-12,14,16-18H2,1-8H3,(H,38,39)/t19-,21+,22+,23+,25+,26-,28+,31+,33-,34+/m1/s1
• InChIKey: BBMULGJBVDDDNI-OWKLGTHSSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 735.7±60.0°C at 760 mmHg (Cal.)
• Flash point: 224.8±26.4°C (Cal.)