Chem
J-GLOBAL ID：200907064714848346   Nikkaji number：J143.724K

3-Ketofucosterol

3-ケトフコステロール
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： C29H46O
Molecular formula furigana： C29-H46-O
Molecular weight： 410.686
InChI： InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,18-20,24-27H,8-17H2,1-6H3/t20-,24+,25-,26+,27+,28+,29-/m1/s1
InChI key： JKNOXDGSYQSJQT-RQZMLCOOSA-N
SMILES： CC=C(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
Systematic name  (3)：
  • スチグマスタ-4,24(28)-ジエン-3-オン
  • (1R,3aS,3bS,9aR,9bS,11aR)-9a,11a-ジメチル-1-[(2R)-5-(プロパン-2-イル)ヘプタ-5-エン-2-イル]-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-オン
  • (1R,3aS,3bS,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-5-(propan-2-yl)hept-5-en-2-yl]-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
Other name (3)：
  • Stigmasta-4,24(28)-dien-3-one
  • 3-Ketofucosterol
  • 3-ケトフコステロール
CAS registry number： 56143-35-2
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