Phenelfamycin F
[CAS# 114451-30-8]

Identification

• Name: Phenelfamycin F
• Synonyms: (2E,4E,6E)-7-[5-[(3E,5E)-7-[[2-[2,3-Dihydroxy-5,5-Dimethyl-6-[(1E,3E)-Penta-1,3-Dienyl]-4-(2-Phenylacetyl)Oxy-Tetrahydropyran-2-Yl]-3-[5-[5-(5-Hydroxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-Propanoyl]Amino]-2-Methoxy-1,3-Dimethyl-Hepta-3,5-Dienyl]-3-Hydroxy-Tetrahydrofuran-2-Yl]Hepta-2,4,6-Trienoic Acid; (2E,4E,6E)-7-[5-[(3E,5E)-7-[[2-[2,3-Dihydroxy-5,5-Dimethyl-4-(1-Oxo-2-Phenylethoxy)-6-[(1E,3E)-Penta-1,3-Dienyl]-2-Tetrahydropyranyl]-3-[[5-[[5-[(5-Hydroxy-4-Methoxy-6-Methyl-2-Tetrahydropyranyl)Oxy]-4-Methoxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-4-Methoxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-1-Oxopropyl]Amino]-2-Methoxy-1,3-Dimethylhepta-3,5-Dienyl]-3-Hydroxy-2-Tetrahydrofuranyl]Hepta-2,4,6-Trienoic Acid; (2E,4E,6E)-7-[5-[(4E,6E)-8-[[2-[2,3-Dihydroxy-5,5-Dimethyl-6-[(1E,3E)-Penta-1,3-Dienyl]-4-(2-Phenylethanoyloxy)Oxan-2-Yl]-3-[5-[5-(5-Hydroxy-4-Methoxy-6-Methyl-Oxan-2-Yl)Oxy-4-Methoxy-6-Methyl-Oxan-2-Yl]Oxy-4-Methoxy-6-Methyl-Oxan-2-Yl]Oxy-Propanoyl]Amino]-3-Methoxy-4-Methyl-Octa-4,6-Dien-2-Yl]-3-Hydroxy-Oxolan-2-Yl]Hepta-2,4,6-Trienoic Acid
• Molecular Formula: C₆₅H₉₅NO₂₁
• Molecular Weight: 1226.46
• CAS Registry Number: 114451-30-8
• SMILES: C6=C(CC(OC1C(C(OC(O)(C1O)C(C(=O)NC\C=C\C=C(C(OC)C(C2OC(C(O)C2)\C=C\C=C\C=C\C(=O)O)C)/C)COC5OC(C(OC4OC(C(OC3OC(C(O)C(OC)C3)C)C(OC)C4)C)C(OC)C5)C)\C=C\C=C\C)(C)C)=O)C=CC=C6
• InChI: 1S/C65H95NO21/c1-13-14-18-29-51-64(7,8)62(84-53(70)32-43-26-19-17-20-27-43)61(72)65(74,87-51)44(63(73)66-31-24-23-25-38(2)58(78-12)39(3)47-33-45(67)46(83-47)28-21-15-16-22-30-52(68)69)37-79-54-35-49(76-10)59(41(5)81-54)86-56-36-50(77-11)60(42(6)82-56)85-55-34-48(75-9)57(71)40(4)80-55/h13-30,39-42,44-51,54-62,67,71-72,74H,31-37H2,1-12H3,(H,66,73)(H,68,69)/b14-13+,16-15+,24-23+,28-21+,29-18+,30-22+,38-25+
• InChIKey: LNHMLFJFDISYQH-SWDDPEEXSA-N

Properties

• Density: 1.261g/cm³ (Cal.)
• Boiling point: 1152.864°C at 760 mmHg (Cal.)
• Flash point: 651.029°C (Cal.)