N-[(3S,4R,7R,8R,9S)-4,9-Dimethyl-2,6-Dioxo-7-Butyl-8-Hydroxy-1,5-Dioxonane-3-Yl]-3-(Formylamino)-2-Hydroxybenzamide
[CAS# 60504-95-2]

Identification

• Name: N-[(3S,4R,7R,8R,9S)-4,9-Dimethyl-2,6-Dioxo-7-Butyl-8-Hydroxy-1,5-Dioxonane-3-Yl]-3-(Formylamino)-2-Hydroxybenzamide
• Synonyms: N-[(2R,3S,6S,7R,8R)-8-Butyl-7-Hydroxy-2,6-Dimethyl-4,9-Dioxo-1,5-Dioxonan-3-Yl]-3-Formamido-2-Hydroxy-Benzamide; N-[(3S,4R,7R,8R,9S)-7-Butyl-8-Hydroxy-2,6-Diketo-4,9-Dimethyl-1,5-Dioxonan-3-Yl]-3-Formamido-2-Hydroxy-Benzamide; Salicylamide, N-(7-Butyl-4,9-Dimethyl-2,6-Dioxo-8-Hydroxy-1,5-Dioxonan-3-Yl)-3-Formamido-
• Molecular Formula: C₂₁H₂₈N₂O₈
• Molecular Weight: 436.46
• CAS Registry Number: 60504-95-2
• SMILES: [C@H]2(NC(=O)C1=CC=CC(=C1O)NC=O)[C@H](OC(=O)[C@@H]([C@@H](O)[C@@H](OC2=O)C)CCCC)C
• InChI: 1S/C21H28N2O8/c1-4-5-7-14-17(25)12(3)31-21(29)16(11(2)30-20(14)28)23-19(27)13-8-6-9-15(18(13)26)22-10-24/h6,8-12,14,16-17,25-26H,4-5,7H2,1-3H3,(H,22,24)(H,23,27)/t11-,12+,14-,16+,17+/m1/s1
• InChIKey: RQVHZRRXZBBXMY-ZMNIPVBYSA-N

Properties

• Density: 1.329g/cm³ (Cal.)
• Boiling point: 747.195°C at 760 mmHg (Cal.)
• Flash point: 405.689°C (Cal.)