12-(Acetyloxy)-15,20-Dihydro-15,20-Dihydroxy-4-Methyl-4,8-Secosenecionan-8,11,16-Trione
[CAS# 16958-31-9]

Identification

• Name: 12-(Acetyloxy)-15,20-Dihydro-15,20-Dihydroxy-4-Methyl-4,8-Secosenecionan-8,11,16-Trione
• Synonyms: Acetic Acid [(1R,6R,7R,11Z)-4-Hydroxy-4-(1-Hydroxyethyl)-6,7,14-Trimethyl-3,8,17-Trioxo-2,9-Dioxa-14-Azabicyclo[9.5.1]Heptadec-11-En-7-Yl] Ester; Acetic Acid [(1R,6R,7R,11Z)-4-Hydroxy-4-(1-Hydroxyethyl)-3,8,17-Triketo-6,7,14-Trimethyl-2,9-Dioxa-14-Azabicyclo[9.5.1]Heptadec-11-En-7-Yl] Ester; [(1R,6R,7R,11Z)-4-Hydroxy-4-(1-Hydroxyethyl)-6,7,14-Trimethyl-3,8,17-Trioxo-2,9-Dioxa-14-Azabicyclo[9.5.1]Heptadec-11-En-7-Yl] Ethanoate
• Molecular Formula: C₂₁H₃₁NO₉
• Molecular Weight: 441.48
• CAS Registry Number: 16958-31-9
• SMILES: [C@]2(OC(=O)C)([C@@H](CC(O)(C(O[C@H]1C(=O)C(=C\CN(CC1)C)/COC2=O)=O)C(O)C)C)C
• InChI: 1S/C21H31NO9/c1-12-10-21(28,13(2)23)19(27)30-16-7-9-22(5)8-6-15(17(16)25)11-29-18(26)20(12,4)31-14(3)24/h6,12-13,16,23,28H,7-11H2,1-5H3/b15-6-/t12-,13?,16-,20-,21?/m1/s1
• InChIKey: MPJBVZKNLCGQHF-HOVRZMKWSA-N

Properties

• Density: 1.303g/cm³ (Cal.)
• Boiling point: 636.189°C at 760 mmHg (Cal.)
• Flash point: 338.555°C (Cal.)