Chem
J-GLOBAL ID：200907087334983232   Nikkaji number：J2.068.988I

(22E)-25-Hydroxyergosta-4,6,8(14),22-tetrene-3-one

(22E)-25-ヒドロキシエルゴスタ-4,6,8(14),22-テトラエン-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： C28H40O2
Molecular formula furigana： C28-H40-O2
Molecular weight： 408.626
InChI： InChI=1S/C28H40O2/c1-18(7-8-19(2)26(3,4)30)23-11-12-24-22-10-9-20-17-21(29)13-15-27(20,5)25(22)14-16-28(23,24)6/h7-10,17-19,23,25,30H,11-16H2,1-6H3/b8-7+/t18-,19+,23-,25+,27+,28-/m1/s1
InChI key： UDQKCPDBYOLCPB-MSAMIHCOSA-N
SMILES： C[C@H](/C=C/[C@H](C)C(C)(C)O)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3)：
  • (22E)-25-ヒドロキシエルゴスタ-4,6,8(14),22-テトラエン-3-オン
  • (1R,9aR,9bR,11aR)-1-[(2R,3E,5S)-6-ヒドロキシ-5,6-ジメチルヘプタ-3-エン-2-イル]-9a,11a-ジメチル-1H,2H,3H,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,9aR,9bR,11aR)-1-[(2R,3E,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-9a,11a-dimethyl-1H,2H,3H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
Other name (1)：
  • (22E)-25-Hydroxyergosta-4,6,8(14),22-tetrene-3-one
Thsaurus map：
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