Phenelfamycin B
[CAS# 118498-92-3]

Identification

• Name: Phenelfamycin B
• 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-(3-Hydroxy-6-Methoxy-2-Methyl-Tetrahydropyran-4-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-[(3-Hydroxy-6-Methoxy-2-Methyl-4-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-(3-Hydroxy-6-Methoxy-2-Methyl-Oxan-4-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: C₅₁H₇₁NO₁₅
• Molecular Weight: 938.12
• CAS Registry Number: 118498-92-3
• SMILES: C4=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)COC3C(O)C(OC(OC)C3)C)\C=C\C=C\C)(C)C)=O)C=CC=C4
• InChI: 1S/C51H71NO15/c1-9-10-14-25-41-50(5,6)48(66-43(56)28-35-22-15-13-16-23-35)47(58)51(60,67-41)36(31-63-40-30-44(61-7)64-34(4)45(40)57)49(59)52-27-20-19-21-32(2)46(62-8)33(3)39-29-37(53)38(65-39)24-17-11-12-18-26-42(54)55/h9-26,33-34,36-41,44-48,53,57-58,60H,27-31H2,1-8H3,(H,52,59)(H,54,55)/b10-9+,12-11+,20-19+,24-17+,25-14+,26-18+,32-21+
• InChIKey: BQKXPBTYVGLILY-CEKXONASSA-N