Semduramicin

Molecular Formula: C₄₅H₇₆O₁₆

InChI: InChI=1/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/f/h47H

InChIKey: InChIKey=WINSLRIENGBHSH-AINMLIGCDH
SMILES: CC1CC(C(OC1C2CC(C(O2)C3(CCC(O3)C4(CCC5(O4)CC(C(C(O5)C(C)C6C(C(C(C(O6)(CC(=O)O)O)C)O)OC)C)O)C)C)OC7CCC(C(O7)C)OC)(C)O)C

Names:
    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))-
    Semduramicina [INN-Spanish]
    Semduramicine [INN-French]
    Semduramicinum [INN-Latin]
    Semduramicin [USAN:BAN:INN]
    Semduramicin
    UK 61,689
    (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
    (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
    113378-31-7
    2-[(2R,3S,4S,5R,6S)-2,4-dihydroxy-6-[(1S)-1-[(2S,5R,7S,8R,9S)-9-hydroxy-2-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyl-oxan-2-yl]-3-[(2S,5S,6R)-5-methoxy-6-methyl-oxan-2-yl]oxy-oxolan-2-yl]-5-methyl-oxolan-2-yl]-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]ethyl]-5-methoxy-3-methyl-oxan-2-yl]acetic acid

Registries:
    PubChem CID 71327
    PubChem ID 213555