(3R,10S,13S,16S,19S)-3,16-Bis[(2S)-Butan-2-Yl]-10,11,14-Trimethyl-13-Propan-2-Yl-4-Oxa-1,8,11,14,17-Pentazabicyclo[17.4.0]Tricosane-2,5,9,12,15,18-Hexone
[CAS# 79386-01-9]

Identification

• Name: (3R,10S,13S,16S,19S)-3,16-Bis[(2S)-Butan-2-Yl]-10,11,14-Trimethyl-13-Propan-2-Yl-4-Oxa-1,8,11,14,17-Pentazabicyclo[17.4.0]Tricosane-2,5,9,12,15,18-Hexone
• Synonyms: (3R,10S,13S,16S,19S)-13-Isopropyl-10,11,14-Trimethyl-3,16-Disec-Butyl-4-Oxa-1,8,11,14,17-Pentazabicyclo[17.4.0]Tricosane-2,5,9,12,15,18-Hexone; (3R,10S,13S,16S,19S)-13-Isopropyl-10,11,14-Trimethyl-3,16-Disec-Butyl-4-Oxa-1,8,11,14,17-Pentazabicyclo[17.4.0]Tricosane-2,5,9,12,15,18-Triquinone; Destruxin B, 1-L-2-Piperidinecarboxylic Acid-
• Molecular Formula: C₃₁H₅₃N₅O₇
• Molecular Weight: 607.79
• CAS Registry Number: 79386-01-9
• SMILES: [C@@H]12N(C(=O)[C@H](OC(=O)CCNC(=O)[C@@H](N(C(=O)[C@@H](N(C(=O)[C@@H](NC1=O)[C@H](CC)C)C)C(C)C)C)C)C(CC)C)CCCC2
• InChI: 1S/C31H53N5O7/c1-10-19(5)24-29(40)35(9)25(18(3)4)30(41)34(8)21(7)27(38)32-16-15-23(37)43-26(20(6)11-2)31(42)36-17-13-12-14-22(36)28(39)33-24/h18-22,24-26H,10-17H2,1-9H3,(H,32,38)(H,33,39)/t19-,20?,21-,22-,24-,25-,26+/m0/s1
• InChIKey: ZUCXDCRAVWYPSD-YAZLVPKGSA-N

Properties

• Density: 1.162g/cm³ (Cal.)
• Boiling point: 880.921°C at 760 mmHg (Cal.)
• Flash point: 486.564°C (Cal.)