1-{5-[(4E,20E)-19-(alpha-D-Arabinofuranosyloxy)-35-Butyl-10,12,14,16,18,22,26,30,34-Nonahydroxy-3,5,21,33-Tetramethyl-36-Oxooxacyclohexatriaconta-4,20-Dien-2-Yl]-4-Hydroxyhexyl}Guanidine
[CAS# 47917-41-9]

Identification

• Name: 1-{5-[(4E,20E)-19-(alpha-D-Arabinofuranosyloxy)-35-Butyl-10,12,14,16,18,22,26,30,34-Nonahydroxy-3,5,21,33-Tetramethyl-36-Oxooxacyclohexatriaconta-4,20-Dien-2-Yl]-4-Hydroxyhexyl}Guanidine
• Synonyms: primycin
• Molecular Formula: C₅₅H₁₀₃N₃O₁₇
• Molecular Weight: 1078.42
• CAS Registry Number: 47917-41-9
• SMILES: CCCCC1C(C(CCC(CCCC(CCCC(/C(=C/C(C(CC(CC(CC(CC(CCCC/C(=C/C(C(OC1=O)C(C)C(CCCNC(=N)N)O)C)/C)O)O)O)O)O)O[C@@H]2[C@H]([C@@H]([C@H](O2)CO)O)O)/C)O)O)O)C)O
• InChI: 1S/C55H103N3O17/c1-7-8-19-43-49(69)33(3)22-23-38(61)17-11-16-37(60)18-12-20-44(66)34(4)26-47(73-54-51(71)50(70)48(31-59)74-54)46(68)30-42(65)29-41(64)28-40(63)27-39(62)15-10-9-14-32(2)25-35(5)52(75-53(43)72)36(6)45(67)21-13-24-58-55(56)57/h25-26,33,35-52,54,59-71H,7-24,27-31H2,1-6H3,(H4,56,57,58)/b32-25+,34-26+/t33?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?,47?,48-,49?,50-,51+,52?,54+/m1/s1
• InChIKey: NYWSLZMTZNODJM-MCGDBQAWSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 1176.5±75.0°C at 760 mmHg (Cal.)
• Flash point: 665.3±37.1°C (Cal.)