Chem
J-GLOBAL ID：201007093541575684   Nikkaji number：J2.807.914A

4-Epishionone

4-エピシオノン
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： C30H50O
Molecular formula furigana： C30-H50-O
Molecular weight： 426.729
InChI： InChI=1S/C30H50O/c1-21(2)10-9-14-26(4)16-19-30(8)25-13-15-28(6)22(3)23(31)11-12-24(28)29(25,7)18-17-27(30,5)20-26/h10,22,24-25H,9,11-20H2,1-8H3/t22-,24-,25+,26-,27+,28-,29+,30-/m1/s1
InChI key： HXPXUNQUXCHJLL-FGJWSUPPSA-N
SMILES： C[C@@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)C[C@](C)(CCC=C(C)C)CC[C@]12C
Systematic name  (3)：
  • 3β,5,8,17aα-テトラメチル-3-(4-メチル-3-ペンテニル)-D-ホモ-5α-アンドロスタン-17-オン
  • (1S,4aS,4bS,6aS,8R,10aR,10bS,12aS)-1,4b,6a,8,10a,12a-ヘキサメチル-8-(4-メチルペンタ-3-エン-1-イル)-オクタデカヒドロクリセン-2-オン
  • (1S,4aS,4bS,6aS,8R,10aR,10bS,12aS)-1,4b,6a,8,10a,12a-hexamethyl-8-(4-methylpent-3-en-1-yl)-octadecahydrochrysen-2-one
Other name (5)：
  • 3β,5,8,17aα-Tetramethyl-3-(4-methyl-3-pentenyl)-D-homo-5α-androstane-17-one
  • 4-epi-Shionone
  • 4-epi-シオノン
  • 4-エピシオノン
  • 4-Epishionone
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