13-Methyl-5,7,17,19,25-pentaoxa-13-azaheptacyclo[12.10.1.0^1,12.0^2,10.0^4,8.0^15,23.0^16,20]pentacosa-2(10),3,8,15,20,22-hexaene
[CAS# 87099-54-5]

Identification

• Name: 13-Methyl-5,7,17,19,25-pentaoxa-13-azaheptacyclo[12.10.1.0^1,12.0^2,10.0^4,8.0^15,23.0^16,20]pentacosa-2(10),3,8,15,20,22-hexaene
• Synonyms: {6H-6a,14-Epoxy-1,3-dioxolo[4,5-i][1,3]dioxolo[5,6]indeno} {[2,} {1-c][2]benzazepine,} 12,12a,13,14-tetrahydro-13-methyl-, {[6aS-(6aα,12a.} β,14α)\] -; 6H-6a,14-Epoxy-1,3-dioxolo(4,5-i)(1,3)dioxolo(5,6)indeno(2,1-c)(2)benzazepine, 12,12a,13,14-tetrahydro-13-methyl-, (6aS-(6aα,12aβ,14α))-
• Molecular Formula: C₂₀H₁₇NO₅
• Molecular Weight: 351.35
• CAS Registry Number: 87099-54-5
• SMILES: O1c2cc7c(cc2OC1)C56OC(c4c3OCOc3ccc4C5)N(C6C7)C
• InChI: 1S/C20H17NO5/c1-21-16-5-11-4-14-15(24-8-23-14)6-12(11)20(16)7-10-2-3-13-18(25-9-22-13)17(10)19(21)26-20/h2-4,6,16,19H,5,7-9H2,1H3
• InChIKey: HJDZNSLTBDNJJW-UHFFFAOYSA-N

Properties

• Density: 1.576g/cm³ (Cal.)
• Boiling point: 484.878°C at 760 mmHg (Cal.)
• Flash point: 147.321°C (Cal.)