[(2E)-2-[(1R,6R,7R,11Z)-7-Hydroxy-6,7,14-Trimethyl-3,8,17-Trioxo-2,9-Dioxa-14-Azabicyclo[9.5.1]Heptadec-11-En-4-Ylidene]Ethyl] Acetate
[CAS# 138079-62-6]

Identification

• Name: [(2E)-2-[(1R,6R,7R,11Z)-7-Hydroxy-6,7,14-Trimethyl-3,8,17-Trioxo-2,9-Dioxa-14-Azabicyclo[9.5.1]Heptadec-11-En-4-Ylidene]Ethyl] Acetate
• Synonyms: Acetic Acid [(2E)-2-[(1R,6R,7R,11Z)-7-Hydroxy-6,7,14-Trimethyl-3,8,17-Trioxo-2,9-Dioxa-14-Azabicyclo[9.5.1]Heptadec-11-En-4-Ylidene]Ethyl] Ester; Acetic Acid [(2E)-2-[(1R,6R,7R,11Z)-7-Hydroxy-3,8,17-Triketo-6,7,14-Trimethyl-2,9-Dioxa-14-Azabicyclo[9.5.1]Heptadec-11-En-4-Ylidene]Ethyl] Ester; [(2E)-2-[(1R,6R,7R,11Z)-7-Hydroxy-6,7,14-Trimethyl-3,8,17-Trioxo-2,9-Dioxa-14-Azabicyclo[9.5.1]Heptadec-11-En-4-Ylidene]Ethyl] Ethanoate
• Molecular Formula: C₂₁H₂₉NO₈
• Molecular Weight: 423.46
• CAS Registry Number: 138079-62-6
• SMILES: [C@@H]12OC(=O)C(/C[C@H]([C@@](O)(C(OC\C(=C\CN(CC1)C)C2=O)=O)C)C)=C/COC(=O)C
• InChI: 1S/C21H29NO8/c1-13-11-15(7-10-28-14(2)23)19(25)30-17-6-9-22(4)8-5-16(18(17)24)12-29-20(26)21(13,3)27/h5,7,13,17,27H,6,8-12H2,1-4H3/b15-7+,16-5-/t13-,17-,21-/m1/s1
• InChIKey: VSDQPXFTDJVJID-BCPVGGSJSA-N

Properties

• Density: 1.269g/cm³ (Cal.)
• Boiling point: 659.502°C at 760 mmHg (Cal.)
• Flash point: 352.654°C (Cal.)