5-Hydroxy-2-[[(2S,3R,5R,8R,9R)-3,5,9-Trimethyl-2-[(2S)-1-Oxo-1-(1H-Pyrrol-2-Yl)Propan-2-Yl]-1,7-Dioxaspiro[5.5]Undecan-8-Yl]Methyl]-1,3-Benzoxazole-4-Carboxylic Acid
[CAS# 104414-30-4]

Identification

• Name: 5-Hydroxy-2-[[(2S,3R,5R,8R,9R)-3,5,9-Trimethyl-2-[(2S)-1-Oxo-1-(1H-Pyrrol-2-Yl)Propan-2-Yl]-1,7-Dioxaspiro[5.5]Undecan-8-Yl]Methyl]-1,3-Benzoxazole-4-Carboxylic Acid
• Synonyms: 5-Hydroxy-2-[[(2S,3R,5R,8R,9R)-3,5,9-Trimethyl-2-[(1S)-1-Methyl-2-Oxo-2-(1H-Pyrrol-2-Yl)Ethyl]-1,7-Dioxaspiro[5.5]Undecan-8-Yl]Methyl]-1,3-Benzoxazole-4-Carboxylic Acid; 5-Hydroxy-2-[[(2S,3R,5R,8R,9R)-2-[(1S)-2-Keto-1-Methyl-2-(1H-Pyrrol-2-Yl)Ethyl]-3,5,9-Trimethyl-1,7-Dioxaspiro[5.5]Undecan-8-Yl]Methyl]-1,3-Benzoxazole-4-Carboxylic Acid; 1,7-Dioxaspiro(5.5)Undecane, 4-Benzoxazolecarboxylic Acid Deriv.
• Molecular Formula: C₂₈H₃₄N₂O₇
• Molecular Weight: 510.59
• CAS Registry Number: 104414-30-4
• SMILES: [C@H]3(CC2=NC1=C(C(=CC=C1O2)O)C(=O)O)OC4(CC[C@H]3C)O[C@@H]([C@@H](C[C@H]4C)C)[C@@H](C(C5=CC=C[NH]5)=O)C
• InChI: 1S/C28H34N2O7/c1-14-9-10-28(16(3)12-15(2)26(37-28)17(4)25(32)18-6-5-11-29-18)36-21(14)13-22-30-24-20(35-22)8-7-19(31)23(24)27(33)34/h5-8,11,14-17,21,26,29,31H,9-10,12-13H2,1-4H3,(H,33,34)/t14-,15-,16-,17-,21-,26+,28?/m1/s1
• InChIKey: WULUUVLPLGXOFP-GHLNLJSUSA-N

Properties

• Density: 1.341g/cm³ (Cal.)
• Boiling point: 696.421°C at 760 mmHg (Cal.)
• Flash point: 374.982°C (Cal.)