Chem
J-GLOBAL ID：200907014134022087   Nikkaji number：J1.054.632J

Reveromycin B

レベロマイシンB
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： C36H52O11
Molecular formula furigana： C36-H52-O11
Molecular weight： 660.801
InChI： InChI=1S/C36H52O11/c1-6-7-19-35(30(14-10-25(3)23-33(42)43)45-34(44)17-16-32(40)41)21-22-36(47-35)20-18-27(5)29(46-36)13-9-24(2)8-12-28(37)26(4)11-15-31(38)39/h8-12,14-15,23,26-30,37H,6-7,13,16-22H2,1-5H3,(H,38,39)(H,40,41)(H,42,43)/b12-8+,14-10+,15-11+,24-9+,25-23+/t26-,27-,28+,29+,30-,35+,36-/m0/s1
InChI key： XVFQIVPMOPJEIO-XZZNOWSPSA-N
SMILES： CCCC[C@@]1(CC[C@]2(CC[C@H](C)[C@@H](C/C=C(\C)/C=C/[C@@H](O)[C@@H](C)/C=C/C(=O)O)O2)O1)[C@@H](OC(=O)CCC(=O)O)/C=C/C(=C/C(=O)O)/C
Systematic name  (3)：
  • (2E,4S,5R,6E,8E)-4,8-ジメチル-5-ヒドロキシ-10-[(2R,5S)-2-ブチル-2β-[(1S,2E,4E)-1-(4-ヒドロキシ-1,4-ジオキソブトキシ)-4-メチル-6-オキソ-6-ヒドロキシ-2,4-ヘキサジエニル]-8β-メチル-1,6-ジオキサスピロ[4.5]デカン-7α-イル]-2,6,8-デカトリエン酸
  • (2E,4S,5R,6E,8E)-10-[(2R,5S,7R,8S)-2-ブチル-2-[(1S,2E,4E)-5-カルボキシ-1-[(3-カルボキシプロパノイル)オキシ]-4-メチルペンタ-2,4-ジエン-1-イル]-8-メチル-1,6-ジオキサスピロ[4.5]デカン-7-イル]-5-ヒドロキシ-4,8-ジメチルデカ-2,6,8-トリエン酸
  • (2E,4S,5R,6E,8E)-10-[(2R,5S,7R,8S)-2-butyl-2-[(1S,2E,4E)-5-carboxy-1-[(3-carboxypropanoyl)oxy]-4-methylpenta-2,4-dien-1-yl]-8-methyl-1,6-dioxaspiro[4.5]decan-7-yl]-5-hydroxy-4,8-dimethyldeca-2,6,8-trienoic acid
Other name (4)：
  • (2E,4S,5R,6E,8E)-4,8-Dimethyl-5-hydroxy-10-[(2R,5S)-2-butyl-2β-[(1S,2E,4E)-1-(4-hydroxy-1,4-dioxobutoxy)-4-methyl-6-oxo-6-hydroxy-2,4-hexadienyl]-8β-methyl-1,6-dioxaspiro[4.5]decane-7α-yl]-2,6,8-decatrienoic acid
  • レベロマイシンB
  • Reveromycin B
  • リベロマイシンB
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