Mycoheptin
[CAS# 12609-89-1]

Identification

• Name: Mycoheptin
• Synonyms: Amphotericin B, 5,8,9-trideoxy-7,10-dihydroxy-5-oxo-; Antibiotic 281471
• Molecular Formula: C₄₇H₇₁NO₁₇
• Molecular Weight: 922.06
• CAS Registry Number: 12609-89-1
• SMILES: O=C2C[C@H](O)CC[C@H](O)[C@H](O)C[C@@]3(O)O[C@@H](C[C@@H](O[C@@H]1O[C@H](C)[C@@H](O)[C@H](N)[C@@H]1O)/C=C/C=C/C=C/C=C/C=C/C=C/C=C\[C@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(=O)C[C@H](O)C2)C)[C@H](C(=O)O)[C@@H](O)C3
• InChI: 1S/C47H71NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-36(53)35(52)20-19-31(49)21-32(50)22-33(51)23-39(55)62-29(3)28(2)42(27)56/h5-18,27-31,33-38,40-44,46,49,51-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60)/b6-5+,9-7+,10-8+,13-11+,14-12+,17-15-,18-16+/t27-,28-,29-,30+,31+,33+,34-,35-,36+,37-,38-,40+,41-,42+,43+,44-,46-,47+/m0/s1
• InChIKey: GXLOOVOKGBOVIH-FRESUUDJSA-N

Properties

• Density: 1.339g/cm³ (Cal.)
• Boiling point: 1140.968°C at 760 mmHg (Cal.)
• Flash point: 643.834°C (Cal.)
• Refractive index: 1.611 (Cal.)