Patellamide C
[CAS# 81120-74-3]

Identification

• Name: Patellamide C
• Synonyms: 6,20-Dioxa-13,27-Dithia-3,10,17,24,29,30,31,32-Octaazapentacyclo(24.2.1.15,8.112,15.119,22)Dotriaconta-5(32),12(31),14,19(30),26(29),28-Hexaene-2,9,16,23-Tetrone,7,11,21-Trimethyl-4-(1-Methylethyl)-18-((1S)-1-Methylpropyl)-25-(Phenylmethyl)-, (4S,7R,8S,11R,18S,21R,22S,25R)-; Patellamide C; Ulithiacyclamide, 1,15-De(Dithiobis(Methylene))-8,22-Dide(2-Methylpropyl)-8-Methyl-1-(1-Methylethyl)-15-(1-Methylpropyl)-22-(Phenylmethyl)-, (1S,8R,15S(S),22R)-
• Molecular Formula: C₃₇H₄₆N₈O₆S₂
• Molecular Weight: 762.94
• CAS Registry Number: 81120-74-3
• SMILES: C6=C(CC3C1=NC(=CS1)C(NC(C5=NC(C(NC(C2=NC(=CS2)C(NC(C4=NC(C(N3)=O)C(C)O4)C(CC)C)=O)C)=O)C(C)O5)C(C)C)=O)C=CC=C6
• InChI: 1S/C37H46N8O6S2/c1-8-18(4)27-35-45-29(21(7)51-35)33(49)39-23(14-22-12-10-9-11-13-22)37-41-25(16-53-37)30(46)42-26(17(2)3)34-44-28(20(6)50-34)32(48)38-19(5)36-40-24(15-52-36)31(47)43-27/h9-13,15-21,23,26-29H,8,14H2,1-7H3,(H,38,48)(H,39,49)(H,42,46)(H,43,47)
• InChIKey: CFXBLGFMQUFLKS-UHFFFAOYSA-N

Properties

• Density: 1.473g/cm³ (Cal.)
• Boiling point: 1036.425°C at 760 mmHg (Cal.)
• Flash point: 580.609°C (Cal.)