Chem
J-GLOBAL ID：200907012061402800   Nikkaji number：J1.513.288D

7α,12α-Dihydroxy-4-cholesten-3-one

7α,12α-ジヒドロキシ-4-コレステン-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： C27H44O3
Molecular formula furigana： C27-H44-O3
Molecular weight： 416.646
InChI： InChI=1S/C27H44O3/c1-16(2)7-6-8-17(3)20-9-10-21-25-22(15-24(30)27(20,21)5)26(4)12-11-19(28)13-18(26)14-23(25)29/h13,16-17,20-25,29-30H,6-12,14-15H2,1-5H3/t17-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChI key： UQPYXHJTHPHOMM-NIBOIBLTSA-N
SMILES： CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Systematic name  (3)：
  • 7α,12α-ジヒドロキシコレスタ-4-エン-3-オン
  • (1R,3aS,3bR,4R,9aR,9bS,11S,11aR)-4,11-ジヒドロキシ-9a,11a-ジメチル-1-[(2R)-6-メチルヘプタン-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,3bR,4R,9aR,9bS,11S,11aR)-4,11-dihydroxy-9a,11a-dimethyl-1-[(2R)-6-methylheptan-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)：
  • 7α,12α-Dihydroxycholesta-4-ene-3-one
  • 7α,12α-ジヒドロキシ-4-コレステン-3-オン
  • 7α,12α-Dihydroxy-4-cholesten-3-one
KEGG COMPOUND： C17339
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM