Chem
J-GLOBAL ID：200907081271359276   Nikkaji number：J1.156.822J

22β-Hydroxyisotingenone III

22β-ヒドロキシイソチンゲノンIII
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： C28H36O4
Molecular formula furigana： C28-H36-O4
Molecular weight： 436.592
InChI： InChI=1S/C28H36O4/c1-15-13-21-25(3,24(32)22(15)30)11-12-28(6)26(4)9-7-17-16(2)23(31)20(29)14-18(17)19(26)8-10-27(21,28)5/h7-9,14-15,21,24,29,31-32H,10-13H2,1-6H3/t15-,21-,24-,25-,26-,27+,28-/m1/s1
InChI key： AVMIIJYQGVDLEQ-MXSLEULHSA-N
SMILES： C[C@@H]1C[C@@H]2[C@@](C)(CC[C@@]3(C)[C@@]2(C)CC=C2c4cc(O)c(O)c(C)c4C=C[C@@]32C)[C@H](O)C1=O
Systematic name  (3)：
  • 2,3,22β-トリヒドロキシ-14β-メチル-24,25,29-トリノル-D-フリードオレアナ-1,3,5(10),6,9(11)-ペンタエン-21-オン
  • (2R,4S,4aR,6aS,6bS,14aS,14bS)-4,10,11-トリヒドロキシ-2,4a,6a,6b,9,14a-ヘキサメチル-1,2,3,4,4a,5,6,6a,6b,14,14a,14b-ドデカヒドロピセン-3-オン
  • (2R,4S,4aR,6aS,6bS,14aS,14bS)-4,10,11-trihydroxy-2,4a,6a,6b,9,14a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,14,14a,14b-dodecahydropicen-3-one
Other name (3)：
  • 2,3,22β-Trihydroxy-14β-methyl-24,25,29-trinor-D-friedoolean-1,3,5(10),6,9(11)-pentene-21-one
  • 22β-ヒドロキシイソチンゲノンIII
  • 22β-Hydroxyisotingenone III
Thsaurus map：
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