Chem
J-GLOBAL ID：200907068643917053   Nikkaji number：J445.343C

Isotingenone III

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： C28H36O3
Molecular formula furigana： C28-H36-O3
Molecular weight： 420.593
InChI： InChI=1S/C28H36O3/c1-16-13-23-25(3,15-22(16)30)11-12-28(6)26(4)9-7-18-17(2)24(31)21(29)14-19(18)20(26)8-10-27(23,28)5/h7-9,14,16,23,29,31H,10-13,15H2,1-6H3/t16-,23-,25+,26-,27+,28-/m1/s1
InChI key： NQQIOIHBDSUKND-AHRBEJICSA-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)CC1=O
Systematic name  (3)：
  • 2,3-ジヒドロキシ-14-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,4aS,6aS,6bS,14aS,14bR)-10,11-ジヒドロキシ-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)-10,11-dihydroxy-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)：
  • イソチンゲノンIII
  • Isotingenone III
  • 2,3-Dihydroxy-14-methyl-24,25,29-trinor-D-friedoolean-1,3,5(10),6,9(11)-penten-21-one
Thsaurus map：
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