Chem
J-GLOBAL ID：200907022264040543   Nikkaji number：J20.169C

Undulatone

ウンズラトン
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： C27H34O11
Molecular formula furigana： C27-H34-O11
Molecular weight： 534.558
InChI： InChI=1S/C27H34O11/c1-7-10(2)22(32)37-17-15-11(3)8-14(29)20(31)25(15,6)24-26-9-35-27(24,34)19(30)12(4)16(26)18(36-13(5)28)23(33)38-21(17)26/h7-8,12,15-21,24,30-31,34H,9H2,1-6H3/b10-7+/t12-,15-,16-,17-,18-,19-,20-,21-,24-,25-,26-,27+/m1/s1
InChI key： VKCVPDRXEYKUOZ-ZZWVBLAUSA-N
SMILES： C/C=C(\C)/C(=O)O[C@H]1[C@H]2OC(=O)[C@H](OC(=O)C)[C@H]3[C@@H](C)[C@@H](O)[C@]4(O)OC[C@]23[C@H]4[C@@]2(C)[C@H](O)C(=O)C=C(C)[C@H]12
Systematic name  (3)：
  • (11R)-15β-アセトキシ-11β,20-エポキシ-1β,11,12α-トリヒドロキシ-6α-[[(E)-2-メチル-1-オキソ-2-ブテニル]オキシ]ピクラサ-3-エン-2,16-ジオン
  • (1S,4R,5R,6R,7S,8R,11S,12R,13S,17S,18S,19R)-8-(アセチルオキシ)-4,5,17-トリヒドロキシ-6,14,18-トリメチル-9,16-ジオキソ-3,10-ジオキサペンタシクロ[9.8.0.01,7.04,19.013,18]ノナデカ-14-エン-12-イル (2E)-2-メチルブタ-2-エノアート
  • (1S,4R,5R,6R,7S,8R,11S,12R,13S,17S,18S,19R)-8-(acetyloxy)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-12-yl (2E)-2-methylbut-2-enoate
Other name (3)：
  • ウンズラトン
  • Undulatone
  • (11R)-15β-Acetoxy-11β,20-epoxy-1β,11,12α-trihydroxy-6α-[[(E)-2-methyl-1-oxo-2-butenyl]oxy]picras-3-ene-2,16-dione
CAS registry number： 70993-77-0
KEGG COMPOUND： C08787
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