Doronine
[CAS# 60367-00-2]

Identification

• Name: Doronine
• Synonyms: Acetic Acid [(1R,4R,6R,7R,11Z)-4-(1-Chloroethyl)-4-Hydroxy-6,7,14-Trimethyl-3,8,17-Trioxo-2,9-Dioxa-14-Azabicyclo[9.5.1]Heptadec-11-En-7-Yl] Ester; Benzene; Acetic Acid [(1R,4R,6R,7R,11Z)-4-(1-Chloroethyl)-4-Hydroxy-3,8,17-Triketo-6,7,14-Trimethyl-2,9-Dioxa-14-Azabicyclo[9.5.1]Heptadec-11-En-7-Yl] Ester; Benzene; Benzene; [(1R,4R,6R,7R,11Z)-4-(1-Chloroethyl)-4-Hydroxy-6,7,14-Trimethyl-3,8,17-Trioxo-2,9-Dioxa-14-Azabicyclo[9.5.1]Heptadec-11-En-7-Yl] Ethanoate
• Molecular Formula: C₂₇H₃₆ClNO₈
• Molecular Weight: 538.04
• CAS Registry Number: 60367-00-2
• SMILES: [C@H]2(C[C@](O)([C@H](Cl)C)C(O[C@@H]1CCN(C/C=C(C1=O)/COC(=O)[C@@]2(OC(=O)C)C)C)=O)C.C3=CC=CC=C3
• InChI: 1S/C21H30ClNO8.C6H6/c1-12-10-21(28,13(2)22)19(27)30-16-7-9-23(5)8-6-15(17(16)25)11-29-18(26)20(12,4)31-14(3)24;1-2-4-6-5-3-1/h6,12-13,16,28H,7-11H2,1-5H3;1-6H/b15-6-;/t12-,13-,16-,20-,21+;/m1./s1
• InChIKey: VMVVTEMNXFSWTH-RXAOCYEVSA-N

Properties

• Boiling point: 643.6°C at 760 mmHg (Cal.)
• Flash point: 343°C (Cal.)