5-Methyl-7-(2'-(2''-Methylbutyryloxy)-3'-Acetoxy)Butylidene-1a,2,3,7-Tetrahydrocyclopent(b)Oxireno(C)Pyridine
[CAS# 145458-92-0]

Identification

• Name: 5-Methyl-7-(2'-(2''-Methylbutyryloxy)-3'-Acetoxy)Butylidene-1a,2,3,7-Tetrahydrocyclopent(b)Oxireno(C)Pyridine
• Synonyms: Butanoic Acid, 2-Methyl-, 2-(Acetyloxy)-1-((2,3-Dihydro-5-Methylcyclopent(B)Oxireno(C)Pyridin-7(1Ah)-Ylidene)Methyl)Propyl Ester, (Z)-(+)-; Kobutimycin B
• Molecular Formula: C₂₀H₂₇NO₅
• Molecular Weight: 361.44
• CAS Registry Number: 145458-92-0
• SMILES: C(C(C(OC(/C=C/3C12OC1CCN=C2C(=C3)C)C(OC(=O)C)C)=O)C)C
• InChI: 1S/C20H27NO5/c1-6-11(2)19(23)25-16(13(4)24-14(5)22)10-15-9-12(3)18-20(15)17(26-20)7-8-21-18/h9-11,13,16-17H,6-8H2,1-5H3/b15-10-
• InChIKey: UHLRWDQYLLEDGJ-GDNBJRDFSA-N

Properties

• Density: 1.252g/cm³ (Cal.)
• Boiling point: 477.403°C at 760 mmHg (Cal.)
• Flash point: 180.684°C (Cal.)