Demethyldestruxin B
[CAS# 27482-48-0]

Identification

• Name: Demethyldestruxin B
• Synonyms: 3-Isobutyl-13-Isopropyl-10,11-Dimethyl-16-Sec-Butyl-4-Oxa-1,8,11,14,17-Pentazabicyclo[17.3.0]Docosane-2,5,9,12,15,18-Hexone; 3-Isobutyl-13-Isopropyl-10,11-Dimethyl-16-Sec-Butyl-4-Oxa-1,8,11,14,17-Pentazabicyclo[17.3.0]Docosane-2,5,9,12,15,18-Triquinone; Destruxin B, 3-L-Valine-
• Molecular Formula: C₂₉H₄₉N₅O₇
• Molecular Weight: 579.74
• CAS Registry Number: 27482-48-0
• SMILES: C(C1OC(CCNC(C(N(C(C(NC(C(NC(C2N(C1=O)CCC2)=O)C(CC)C)=O)C(C)C)=O)C)C)=O)=O)C(C)C
• InChI: 1S/C29H49N5O7/c1-9-18(6)24-27(38)31-23(17(4)5)29(40)33(8)19(7)25(36)30-13-12-22(35)41-21(15-16(2)3)28(39)34-14-10-11-20(34)26(37)32-24/h16-21,23-24H,9-15H2,1-8H3,(H,30,36)(H,31,38)(H,32,37)
• InChIKey: LKJMCPAAJZITNV-UHFFFAOYSA-N

Properties

• Density: 1.178g/cm³ (Cal.)
• Boiling point: 896.78°C at 760 mmHg (Cal.)
• Flash point: 496.155°C (Cal.)