33-[(3-Amino-3,6-Dideoxy-beta-L-Mannopyranosyl)Oxy]-17-[7-(4-Aminophenyl)-5-Hydroxy-7-Oxo-2-Heptanyl]-1,3,5,7,9,13,37-Heptahydroxy-18-Methyl-11,15-Dioxo-16,39-Dioxabicyclo[33.3.1]Nonatriaconta-19,21,2 3,25,27,29,31-Heptaene-36-Carboxylic Acid
[CAS# 11096-49-4]

Identification

• Name: 33-[(3-Amino-3,6-Dideoxy-beta-L-Mannopyranosyl)Oxy]-17-[7-(4-Aminophenyl)-5-Hydroxy-7-Oxo-2-Heptanyl]-1,3,5,7,9,13,37-Heptahydroxy-18-Methyl-11,15-Dioxo-16,39-Dioxabicyclo[33.3.1]Nonatriaconta-19,21,2 3,25,27,29,31-Heptaene-36-Carboxylic Acid
• Synonyms: Antibiotic spa-8-132; Partricin
• Molecular Formula: C₅₈H₈₄N₂O₁₉
• Molecular Weight: 1113.29
• CAS Registry Number: 11096-49-4
• SMILES: O=C(c1ccc(N)cc1)CC(O)CCC(C)C4OC(=O)CC(O)CC(=O)CC(O)CC(O)CC(O)CC(O)CC2(O)OC(C(C(=O)O)C(O)C2)CC(O[C@H]3O[C@@H](C)[C@H](O)[C@@H](N)[C@H]3O)C=CC=CC=CC=CC=CC=CC=CC4C
• InChI: 1S/C58H84N2O19/c1-34-16-14-12-10-8-6-4-5-7-9-11-13-15-17-46(77-57-54(72)52(60)53(71)36(3)76-57)31-49-51(56(73)74)48(69)33-58(75,79-49)32-45(67)28-43(65)26-41(63)24-40(62)25-42(64)27-44(66)30-50(70)78-55(34)35(2)18-23-39(61)29-47(68)37-19-21-38(59)22-20-37/h4-17,19-22,34-36,39-41,43-46,48-49,51-55,57,61-63,65-67,69,71-72,75H,18,23-33,59-60H2,1-3H3,(H,73,74)/t34?,35?,36-,39?,40?,41?,43?,44?,45?,46?,48?,49?,51?,52+,53-,54+,55?,57+,58?/m0/s1
• InChIKey: NVJUPMZQNWDHTL-BGZDCYLNSA-N

Properties

• Density: 1.353g/cm³ (Cal.)
• Boiling point: 1287.869°C at 760 mmHg (Cal.)
• Flash point: 732.677°C (Cal.)
• Refractive index: 1.628 (Cal.)