Chem
J-GLOBAL ID：200907071639252170   Nikkaji number：J1.263.982A

K-41

抗生物質K-41
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C48H82O18
Molecular formula furigana： C48-H82-O18
Molecular weight： 947.166
InChI： InChI=1S/C48H82O18/c1-23-38(62-37-20-18-30(54-10)28(6)59-37)25(3)46(9,52)65-39(23)33-16-15-31(60-33)32-17-19-35(61-32)45(8)42(57-13)27(5)48(66-45)24(2)34(55-11)21-29(63-48)22-36-44(7,58-14)41(56-12)26(4)47(53,64-36)40(49)43(50)51/h23-42,49,52-53H,15-22H2,1-14H3,(H,50,51)/t23-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33+,34+,35+,36+,37-,38-,39-,40-,41-,42+,44-,45-,46-,47-,48-/m0/s1
InChI key： QFHLVPYVNFSTBE-CFGHGVTGSA-N
SMILES： CO[C@@H]1[C@@H](C)[C@]2(O[C@@]1(C)[C@H]1CC[C@H](O1)[C@H]1CC[C@@H](O1)[C@H]1O[C@](C)(O)[C@H](C)[C@@H](O[C@H]3CC[C@H](OC)[C@@H](C)O3)[C@@H]1C)O[C@H](C[C@H]1O[C@](O)([C@@H](O)C(=O)O)[C@@H](C)[C@H](OC)[C@@]1(C)OC)C[C@@H](OC)[C@H]2C
Systematic name  (3)：
  • (2S,αR)-6β-[[(2S,3R,4R,5S,7S,9R,10R)-3,9-ジメトキシ-2,4,10-トリメチル-2-[(2S,2′R,5R,5′R)-オクタヒドロ-5′-[(2S,3S,4S,5R,6S)-テトラヒドロ-6-ヒドロキシ-3,5,6-トリメチル-4-[[(2R,5S,6R)-テトラヒドロ-5-メトキシ-6-メチル-2H-ピラン-2-イル]オキシ]-2H-ピラン-2-イル]-2,2′-ビフラン-5-イル]-1,6-ジオキサスピロ[4.5]デカン-7-イル]メチル]テトラヒドロ-α,2-ジヒドロキシ-4α,5β-ジメトキシ-3β,5-ジメチル-2H-ピラン-2α-酢酸
  • (2R)-2-ヒドロキシ-2-[(2S,3S,4S,5S,6R)-2-ヒドロキシ-6-{[(2S,3R,4R,5S,7S,9R,10R)-2-[(2S,2'R,5R,5'R)-5'-[(2S,3S,4S,5R,6S)-6-ヒドロキシ-4-{[(2R,5S,6R)-5-メトキシ-6-メチルオキサン-2-イル]オキシ}-3,5,6-トリメチルオキサン-2-イル]-[2,2'-ビオキソラン]-5-イル]-3,9-ジメトキシ-2,4,10-トリメチル-1,6-ジオキサスピロ[4.5]デカン-7-イル]メチル}-4,5-ジメトキシ-3,5-ジメチルオキサン-2-イル]酢酸
  • (2R)-2-hydroxy-2-[(2S,3S,4S,5S,6R)-2-hydroxy-6-{[(2S,3R,4R,5S,7S,9R,10R)-2-[(2S,2'R,5R,5'R)-5'-[(2S,3S,4S,5R,6S)-6-hydroxy-4-{[(2R,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxy}-3,5,6-trimethyloxan-2-yl]-[2,2'-bioxolan]-5-yl]-3,9-dimethoxy-2,4,10-trimethyl-1,6-dioxaspiro[4.5]decan-7-yl]methyl}-4,5-dimethoxy-3,5-dimethyloxan-2-yl]acetic acid
Other name (4)：
  • (2S,αR)-6β-[[(2S,3R,4R,5S,7S,9R,10R)-3,9-Dimethoxy-2,4,10-trimethyl-2-[(2S,2′R,5R,5′R)-octahydro-5′-[(2S,3S,4S,5R,6S)-tetrahydro-6-hydroxy-3,5,6-trimethyl-4-[[(2R,5S,6R)-tetrahydro-5-methoxy-6-methyl-2H-pyran-2-yl]oxy]-2H-pyran-2-yl]-2,2′-bifuran-5-yl]-1,6-dioxaspiro[4.5]decane-7-yl]methyl]tetrahydro-α,2-dihydroxy-4α,5β-dimethoxy-3β,5-dimethyl-2H-pyran-2α-acetic acid
  • 抗生物質K-41
  • Antibiotic K-41
  • K-41
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