Chem
J-GLOBAL ID：201007066572138897   Nikkaji number：J2.793.048D

B-Norcholest-4-en-3-one

B-ノルコレスタ-4-エン-3-オン
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： C26H42O
Molecular formula furigana： C26-H42-O
Molecular weight： 370.621
InChI： InChI=1S/C26H42O/c1-17(2)7-6-8-18(3)22-9-10-23-21-16-19-15-20(27)11-13-25(19,4)24(21)12-14-26(22,23)5/h15,17-18,21-24H,6-14,16H2,1-5H3/t18-,21+,22-,23+,24+,25+,26-/m1/s1
InChI key： GLUQJSAOAFURSM-GHSKVMHMSA-N
SMILES： CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3)：
  • B-ノルコレスタ-4-エン-3-オン
  • (3R,3aR,5aS,5bR,10aS,10bS)-3a,5b-ジメチル-3-[(2R)-6-メチルヘプタン-2-イル]-1H,2H,3H,3aH,4H,5H,5aH,5bH,6H,7H,8H,10H,10aH,10bH-シクロペンタ[a]フルオレン-8-オン
  • (3R,3aR,5aS,5bR,10aS,10bS)-3a,5b-dimethyl-3-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,4H,5H,5aH,5bH,6H,7H,8H,10H,10aH,10bH-cyclopenta[a]fluoren-8-one
Other name (2)：
  • B-Norcholesta-4-ene-3-one
  • B-Norcholest-4-en-3-one
KEGG COMPOUND： C15119
Thsaurus map：
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