CAS: 113378-31-7 - Semduramicin

Formula:C₄₅H₇₆O₁₆

InChI:InChI=1S/C45H76O16/c1-22-18-23(2)43(9,50)58-36(22)30-19-31(55-34-13-12-29(52-10)27(6)54-34)40(56-30)42(8)15-14-32(57-42)41(7)16-17-44(61-41)20-28(46)24(3)37(59-44)25(4)38-39(53-11)35(49)26(5)45(51,60-38)21-33(47)48/h22-32,34-40,46,49-51H,12-21H2,1-11H3,(H,47,48)/t22-,23+,24+,25+,26-,27+,28-,29-,30+,31-,32+,34-,35-,36-,37-,38-,39+,40+,41-,42-,43-,44+,45+/m0/s1

InChI key:InChIKey=WINSLRIENGBHSH-ASZYJFLUSA-N

SMILES:O=C(O)CC1(O)OC(C(OC)C(O)C1C)C(C)C2OC3(OC(C)(CC3)C4OC(C)(CC4)C5OC(CC5OC6OC(C)C(OC)CC6)C7OC(O)(C)C(C)CC7C)CC(O)C2C

• Synonyms:
• (2R,3S,4S,5R,6S)-Tetrahydro-2,4-dihydroxy-6-((1R)-1-((2S,5R,7S,8R,9S)-9-hydroxy-2,8-dimethyl-2-((2R,5S)-tetrahydro-5-methyl-5-((2R,3S,5R)-tetrahydro-5-((2S,3S,5R,6S)-tetrahydro-6-hydroxy-3,5,6-trimethyl-2H-pyran-2-yl)-3-(((2S,5S,6R)-tetrahydro-5-methoxy-6-methyl-2H-pyran-2-yl)oxy)-2-furyl)-2-furyl)-1,6-dioxaspiro(4.5)dec-7-yl)ethyl)-5-methoxy-3-methyl-2H-pyran-2-acetic acid
• (2R,3S,4S,5R,6S)-Tetrahydro-2,4-dihydroxy-6-[(1R)-1-[(2S,5R,7S,8R,9S)-9-hydroxy-2,8-dimethyl-2-[(2S,2′R,3′S,5R,5′R)-octahydro-2-methyl-5′-[(2S,3S,5R,6S)-tetrahydro-6-hydroxy-3,5,6-trimethyl-2H-pyran-2-yl]-3′-[[(2S,5S,6R)-tetrahydro-5-methoxy-6-methyl-2H-pyran-2-yl]oxy][2,2′-bifuran]-5-yl]-1,6-dioxaspiro[4.5]dec-7-yl]ethyl]-5-methoxy-3-methyl-2H-pyran-2-acetic acid
• (3R,4S,5S,6R,7S,22S)-23,27-Didemethoxy-2,6,22-tridemethyl-5,11-di-O-demethyl-6-methoxy-22-(((2S,5S,6R)-tetrahydro-5-methoxy-6-methyl-2H-pyran-2-yl)oxy)lonomycin A
• 1,6-Dioxaspiro[4.5]decane, semduramicin deriv.
• 2H-Pyran-2-acetic acid, tetrahydro-2,4-dihydroxy-6-[(1R)-1-[(2S,5R,7S,8R,9S)-9-hydroxy-2,8-dimethyl-2-[(2S,2′R,3′S,5R,5′R)-octahydro-2-methyl-5′-[(2S,3S,5R,6S)-tetrahydro-6-hydroxy-3,5,6-trimethyl-2H-pyran-2-yl]-3′-[[(2S,5S,6R)-tetrahydro-5-methoxy-6-methyl-2H-pyran-2-yl]oxy][2,2′-bifuran]-5-yl]-1,6-dioxaspiro[4.5]dec-7-yl]ethyl]-5-methoxy-3-methyl-, (2R,3S,4S,5R,6S)-
• 2H-Pyran-2-acetic acid, tetrahydro-2,4-dihydroxy-6-[1-[9-hydroxy-2,8-dimethyl-2-[octahydro-2-methyl-5′-(tetrahydro-6-hydroxy-3,5,6-trimethyl-2H-pyran-2-yl)-3′-[(tetrahydro-5-methoxy-6-methyl-2H-pyran-2-yl)oxy][2,2′-bifuran]-5-yl]-1,6-dioxaspiro[4.5]dec-7-yl]ethyl]-5-methoxy-3-methyl-, [2R-[2α,3α,4β,5α,6β[R*[2S*[2S*,2′R*,3′S*(2S*,5S*,6R*),5R*,5′R*(2S*,3S*,5R*,6S*)],5R*,7S*,8R*,9S*]]]]-
• Aviax
• Lonomycin A, 23,27-didemethoxy-2,6,22-tridemethyl-5,11-di-O-demethyl-6-methoxy-22-((tetrahydro-5-methoxy-6-methyl-2H-pyran-2-yl)oxy)-, (3R,4S,5S,6R,7S,22S(2S,5S,6R))-
• Semduramicin [USAN:INN:BAN]
• Semduramicina
• See more synonyms
• Semduramicina [INN-Spanish]
• Semduramicine
• Semduramicine [INN-French]
• Semduramicinum
• Semduramicinum [INN-Latin]
• Semduramycin
• Stereoisomer of tetrahydro-2,4-dihydroxy-6-[1-[9-hydroxy-2,8-dimethyl-2-[octahydro-2-methyl-5′-(tetrahydro-6-hydroxy-3,5,6-trimethyl-2H-pyran-2-yl)-3′-[(tetrahydro-5-methoxy-6-methyl-2H-pyran-2-yl)oxy][2,2′-bifuran]-5-yl]-1,6-dioxaspiro[4.5]dec-7-yl]ethyl]-5-methoxy-3-methyl-2H-pyran-2-acetic acid
• Uk 61,689
• Unii-P6Vxl377Wl
• {(2R,3S,4S,5R,6S)-2,4-dihydroxy-6-[(1R)-1-{(2S,5R,7S,8R,9S)-9-hydroxy-2-[(2S,2'R,3'S,5R,5'R)-5'-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyltetrahydro-2H-pyran-2-yl]-3'-{[(2S,5S,6R)-5-methoxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-2-methyloctahydro-2,2'-bifuran-5-yl]-2,8-dimethyl-1,6-dioxaspiro[4.5]dec-7-yl}ethyl]-5-methoxy-3-methyltetrahydro-2H-pyran-2-yl}acetic acid (non-preferred name)