(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[3-Hydroxy-2-[(1R,6S)-3-Methyl-6-Prop-1-En-2-Yl-1-Cyclohex-2-Enyl]-5-Pentyl-Phenoxy]Oxane-2-Carboxylic Acid
[CAS# 68170-65-0]

Identification

• Name: (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[3-Hydroxy-2-[(1R,6S)-3-Methyl-6-Prop-1-En-2-Yl-1-Cyclohex-2-Enyl]-5-Pentyl-Phenoxy]Oxane-2-Carboxylic Acid
• Synonyms: (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[3-Hydroxy-2-[(1S,6S)-6-Isopropenyl-3-Methyl-1-Cyclohex-2-Enyl]-5-Pentyl-Phenoxy]Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[3-Hydroxy-2-[(1S,6S)-6-Isopropenyl-3-Methyl-1-Cyclohex-2-Enyl]-5-Pentylphenoxy]-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6S)-6-[5-Amyl-3-Hydroxy-2-[(1S,6S)-6-Isopropenyl-3-Methyl-1-Cyclohex-2-Enyl]Phenoxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₂₇H₃₈O₈
• Molecular Weight: 490.59
• CAS Registry Number: 68170-65-0
• SMILES: [C@@H]3(C1=C(O)C=C(C=C1O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O)CCCCC)[C@@H](C(=C)C)CCC(=C3)C
• InChI: 1S/C27H38O8/c1-5-6-7-8-16-12-19(28)21(18-11-15(4)9-10-17(18)14(2)3)20(13-16)34-27-24(31)22(29)23(30)25(35-27)26(32)33/h11-13,17-18,22-25,27-31H,2,5-10H2,1,3-4H3,(H,32,33)/t17-,18+,22+,23+,24-,25+,27-/m1/s1
• InChIKey: DTPDUSBNMCFKKQ-OVFIKLTOSA-N

Properties

• Density: 1.261g/cm³ (Cal.)
• Boiling point: 661.526°C at 760 mmHg (Cal.)
• Flash point: 215.327°C (Cal.)