6-[(3R,4S,5S,7R)-7-[(2S,2'R,4S,5S,5'S)-2,5'-Diethyloctahydro-5'-[(R)-1-Hydroxyethyl]-4-Methyl[2,2'-Bifuran]-5-Yl]-4-Hydroxy-3,5-Dimethyl-6-Oxononyl]-2-Hydroxy-3-Methylbenzoic Acid
[CAS# 54156-67-1]

Identification

• Name: 6-[(3R,4S,5S,7R)-7-[(2S,2'R,4S,5S,5'S)-2,5'-Diethyloctahydro-5'-[(R)-1-Hydroxyethyl]-4-Methyl[2,2'-Bifuran]-5-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,5S)-5-Ethyl-5-(1-Hydroxyethyl)Tetrahydrofuran-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,5S)-5-Ethyl-5-(1-Hydroxyethyl)-2-Tetrahydrofuranyl]-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,5S)-5-Ethyl-5-(1-Hydroxyethyl)Tetrahydrofuran-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: 54156-67-1
• SMILES: [C@H]1([C@H](C[C@](O1)([C@@H]2O[C@](CC2)(CC)[C@@H](C)O)CC)C)[C@H](C([C@H]([C@H]([C@@H](CCC3=C(C(=C(C=C3)C)O)C(=O)O)C)O)C)=O)CC
• InChI: 1S/C34H54O8/c1-9-25(31-21(6)18-34(11-3,42-31)26-16-17-33(10-2,41-26)23(8)35)30(38)22(7)28(36)19(4)12-14-24-15-13-20(5)29(37)27(24)32(39)40/h13,15,19,21-23,25-26,28,31,35-37H,9-12,14,16-18H2,1-8H3,(H,39,40)/t19-,21+,22+,23-,25+,26-,28+,31+,33+,34+/m1/s1
• InChIKey: XZJLJFYPIJKWCY-ANXQGEBNSA-N

Properties

• Density: 1.123g/cm³ (Cal.)
• Boiling point: 731.268°C at 760 mmHg (Cal.)
• Flash point: 223.171°C (Cal.)