Chem
J-GLOBAL ID：200907062607484681   Nikkaji number：J1.156.823H

20-Hydroxy-20-epiisotingenone III

20-ヒドロキシ-20-エピイソチンゲノン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/c1-16-17-7-9-25(3)19(18(17)13-20(29)23(16)31)8-10-26(4)21-14-27(5,32)22(30)15-24(21,2)11-12-28(25,26)6/h7-9,13,21,29,31-32H,10-12,14-15H2,1-6H3/t21-,24+,25-,26+,27-,28-/m1/s1
InChI key： JYOKOSFABBHKEX-HFOUWSASSA-N
SMILES： Cc1c(O)c(O)cc2C3=CC[C@@]4(C)[C@@H]5C[C@@](C)(O)C(=O)C[C@]5(C)CC[C@]4(C)[C@]3(C)C=Cc12
Systematic name  (3)：
  • 2,3,20β-トリヒドロキシ-14β-メチル-24,25,30-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,4aS,6aS,6bS,14aS,14bR)-2,10,11-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,4aS,6aS,6bS,14aS,14bR)-2,10,11-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)：
  • 2,3,20β-Trihydroxy-14β-methyl-24,25,30-trinor-D-friedoolean-1,3,5(10),6,9(11)-pentene-21-one
  • 20-ヒドロキシ-20-エピイソチンゲノンIII
  • 20-Hydroxy-20-epiisotingenone III
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