Janthinocin C
[CAS# 131086-54-9]

Identification

• Name: Janthinocin C
• Synonyms: 2-Amino-N-[(9Z,15Z)-6-(3-Aminopropyl)-15-Ethylidene-24-(1-Hydroxyethyl)-12,21-Bis(Hydroxymethyl)-18-(1-Hydroxy-2-Methyl-Propyl)-9-(1H-Indol-3-Ylmethylene)-28-Isopropyl-2,5,8,11,14,17,20,23,26-Nonaoxo-3-(Phenylmethyl)-1-Oxa-4,7,10,13,16,19,22,25-Octazacyclooctacos-27-Yl]-3-Methyl-Pentanamide; 2-Amino-N-[(9Z,15Z)-6-(3-Aminopropyl)-15-Ethylidene-24-(1-Hydroxyethyl)-12,21-Bis(Hydroxymethyl)-18-(1-Hydroxy-2-Methylpropyl)-9-(1H-Indol-3-Ylmethylene)-28-Isopropyl-2,5,8,11,14,17,20,23,26-Nonaoxo-3-(Phenylmethyl)-1-Oxa-4,7,10,13,16,19,22,25-Octazacyclooctacos-27-Yl]-3-Methylpentanamide; 2-Amino-N-[(9Z,15Z)-6-(3-Aminopropyl)-3-(Benzyl)-15-Ethylidene-24-(1-Hydroxyethyl)-18-(1-Hydroxy-2-Methyl-Propyl)-9-(1H-Indol-3-Ylmethylene)-28-Isopropyl-2,5,8,11,14,17,20,23,26-Nonaketo-12,21-Dimethylol-1-Oxa-4,7,10,13,16,19,22,25-Octazacyclooctacos-27-Yl]-3-Methyl-Valeramide
• Molecular Formula: C₅₇H₈₂N₁₂O₁₅
• Molecular Weight: 1175.35
• CAS Registry Number: 131086-54-9
• SMILES: C1=C(C2=C([NH]1)C=CC=C2)/C=C/3NC(=O)C(NC(=O)\C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C(CC)C)C(OC(=O)C(NC(=O)C(NC3=O)CCCN)CC4=CC=CC=C4)C(C)C)C(O)C)CO)C(O)C(C)C)=C\C)CO
• InChI: 1S/C57H82N12O15/c1-9-30(7)42(59)53(79)69-45-47(29(5)6)84-57(83)39(23-32-17-12-11-13-18-32)64-49(75)37(21-16-22-58)62-50(76)38(24-33-25-60-36-20-15-14-19-34(33)36)63-51(77)40(26-70)65-48(74)35(10-2)61-55(81)44(46(73)28(3)4)68-52(78)41(27-71)66-54(80)43(31(8)72)67-56(45)82/h10-15,17-20,24-25,28-31,37,39-47,60,70-73H,9,16,21-23,26-27,58-59H2,1-8H3,(H,61,81)(H,62,76)(H,63,77)(H,64,75)(H,65,74)(H,66,80)(H,67,82)(H,68,78)(H,69,79)/b35-10-,38-24-
• InChIKey: BRHKGQIVZZCHPV-RYUUWVGFSA-N

Properties

• Density: 1.359g/cm³ (Cal.)
• Boiling point: 1593.051°C at 760 mmHg (Cal.)
• Flash point: 917.244°C (Cal.)