Chem
J-GLOBAL ID：200907048490423527   Nikkaji number：J34.246G

Glaucarubin

グラウカルビン
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： C25H36O10
Molecular formula furigana： C25-H36-O10
Molecular weight： 496.553
InChI： InChI=1S/C25H36O10/c1-6-22(4,31)21(30)35-16-15-11(3)17(27)25(32)20-23(5)12(10(2)7-13(26)18(23)28)8-14(34-19(16)29)24(15,20)9-33-25/h7,11-18,20,26-28,31-32H,6,8-9H2,1-5H3/t11-,12+,13+,14-,15-,16-,17-,18-,20-,22+,23-,24+,25+/m1/s1
InChI key： LZKVXMYVBSNXER-YZPKDWIXSA-N
SMILES： CC[C@](C)(O)C(=O)O[C@@H]1[C@H]2[C@@H](C)[C@@H](O)[C@]3(O)OC[C@]42[C@H]3[C@@]2(C)[C@H](O)[C@@H](O)C=C(C)[C@@H]2C[C@H]4OC1=O
Systematic name  (3)：
  • 11β,20-エポキシ-1β,2α,11,12α-テトラヒドロキシ-15β-[(S)-2-ヒドロキシ-2-メチル-1-オキソブトキシ]ピクラサ-3-エン-16-オン
  • (1S,4R,5R,6R,7S,8R,11R,13S,16S,17S,18S,19R)-4,5,16,17-テトラヒドロキシ-6,14,18-トリメチル-9-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-8-イル (2S)-2-ヒドロキシ-2-メチルブタノアート
  • (1S,4R,5R,6R,7S,8R,11R,13S,16S,17S,18S,19R)-4,5,16,17-tetrahydroxy-6,14,18-trimethyl-9-oxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl (2S)-2-hydroxy-2-methylbutanoate
Other name (3)：
  • グラウカルビン
  • Glaucarubin
  • 11β,20-Epoxy-1β,2α,11,12α-tetrahydroxy-15β-[(S)-2-hydroxy-2-methyl-1-oxobutoxy]picras-3-en-16-one
CAS registry number： 1448-23-3
KEGG COMPOUND： C08760
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