(11R-(11R*,17S*))-15-(Acetyloxy)-17-((4-Hydroxyphenyl)Methyl)-1,6,10,22-Tetraazatricyclo(9.7.6.1(12,16))Pentacosa-12(25),13,15-Triene-18,23-Dione
[CAS# 133084-04-5]

Identification

• Name: (11R-(11R*,17S*))-15-(Acetyloxy)-17-((4-Hydroxyphenyl)Methyl)-1,6,10,22-Tetraazatricyclo(9.7.6.1(12,16))Pentacosa-12(25),13,15-Triene-18,23-Dione
• Synonyms: Schweinine
• Molecular Formula: C₃₀H₄₀N₄O₅
• Molecular Weight: 536.67
• CAS Registry Number: 133084-04-5
• SMILES: N23C(=O)[C@H](C1=C(OC(=O)C)C=CC(=C1)[C@H](NCCCNCCCC2)CC(=O)NCCC3)CC4=CC=C(O)C=C4
• InChI: 1S/C30H40N4O5/c1-21(35)39-28-11-8-23-19-25(28)26(18-22-6-9-24(36)10-7-22)30(38)34-16-3-2-12-31-13-4-14-32-27(23)20-29(37)33-15-5-17-34/h6-11,19,26-27,31-32,36H,2-5,12-18,20H2,1H3,(H,33,37)/t26-,27+/m0/s1
• InChIKey: LSZMIIMBHCIRKT-RRPNLBNLSA-N

Properties

• Density: 1.255g/cm³ (Cal.)
• Boiling point: 778.937°C at 760 mmHg (Cal.)
• Flash point: 424.886°C (Cal.)