Chem
J-GLOBAL ID：200907033499667146   Nikkaji number：J782.499H

Indaquassin C

インダクアッシンC
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： C20H26O9
Molecular formula furigana： C20-H26-O9
Molecular weight： 410.419
InChI： InChI=1S/C20H26O9/c1-7-4-8(21)14(25)17(2)10(7)11(23)16-19-6-28-18(3,15(26)12(24)13(17)19)20(19,27)5-9(22)29-16/h4,10-16,23-27H,5-6H2,1-3H3/t10-,11-,12-,13-,14-,15+,16-,17+,18-,19+,20-/m1/s1
InChI key： WPPVOFUTBNIYFS-IKGLYQSQSA-N
SMILES： CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1[C@@H](O)[C@H]1OC(=O)C[C@@]3(O)[C@]4(C)OC[C@]13[C@@H]2[C@@H](O)[C@@H]4O
Systematic name  (3)：
  • 1β,6α,11β,12α,14-ペンタヒドロキシ-13,20-エポキシピクラサ-3-エン-2,16-ジオン
  • (1R,2S,6S,7R,8S,12S,13S,14R,15R,16S,17R)-2,7,12,15,16-ペンタヒドロキシ-9,13,17-トリメチル-5,18-ジオキサペンタシクロ[12.5.0.01,6.02,17.08,13]ノナデカ-9-エン-4,11-ジオン
  • (1R,2S,6S,7R,8S,12S,13S,14R,15R,16S,17R)-2,7,12,15,16-pentahydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-4,11-dione
Other name (3)：
  • インダクアッシンC
  • Indaquassin C
  • 1β,6α,11β,12α,14-Pentahydroxy-13,20-epoxypicras-3-ene-2,16-dione
Thsaurus map：
Thesaurus Map

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