(3R,10S,13S,16S,19S)-10,11,14-Trimethyl-13,16-Di(Propan-2-Yl)-3-Prop-2-Enyl-4-Oxa-1,8,11,14,17-Pentazabicyclo[17.3.0]Docosane-2,5,9,12,15,18-Hexone
[CAS# 79386-02-0]

Identification

• Name: (3R,10S,13S,16S,19S)-10,11,14-Trimethyl-13,16-Di(Propan-2-Yl)-3-Prop-2-Enyl-4-Oxa-1,8,11,14,17-Pentazabicyclo[17.3.0]Docosane-2,5,9,12,15,18-Hexone
• Synonyms: (3R,10S,13S,16S,19S)-3-Allyl-13,16-Diisopropyl-10,11,14-Trimethyl-4-Oxa-1,8,11,14,17-Pentazabicyclo[17.3.0]Docosane-2,5,9,12,15,18-Hexone; (3R,10S,13S,16S,19S)-3-Allyl-13,16-Diisopropyl-10,11,14-Trimethyl-4-Oxa-1,8,11,14,17-Pentazabicyclo[17.3.0]Docosane-2,5,9,12,15,18-Triquinone; Destruxin A, 2-L-Valine-
• Molecular Formula: C₂₈H₄₅N₅O₇
• Molecular Weight: 563.69
• CAS Registry Number: 79386-02-0
• 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(C)C)C)C(C)C)C)C)CC=C)CCC2
• InChI: 1S/C28H45N5O7/c1-9-11-20-26(37)33-15-10-12-19(33)25(36)30-22(16(2)3)27(38)32(8)23(17(4)5)28(39)31(7)18(6)24(35)29-14-13-21(34)40-20/h9,16-20,22-23H,1,10-15H2,2-8H3,(H,29,35)(H,30,36)/t18-,19-,20+,22-,23-/m0/s1
• InChIKey: QRPSKGICZOQNNG-GDXKHXNESA-N

Properties

• Density: 1.2g/cm³ (Cal.)
• Boiling point: 871.808°C at 760 mmHg (Cal.)
• Flash point: 481.052°C (Cal.)