Chem
J-GLOBAL ID：200907034048920073   Nikkaji number：J2.750.550C

5α-Ergosta-7,22-diene-3β,5-diol

5α-エルゴスタ-7,22-ジエン-3β,5-ジオール
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： C28H46O2
Molecular formula furigana： C28-H46-O2
Molecular weight： 414.674
InChI： InChI=1S/C28H46O2/c1-18(2)19(3)7-8-20(4)23-9-10-24-22-12-16-28(30)17-21(29)11-15-27(28,6)25(22)13-14-26(23,24)5/h7-8,12,18-21,23-25,29-30H,9-11,13-17H2,1-6H3/t19-,20+,21-,23+,24-,25-,26+,27+,28+/m0/s1
InChI key： KKCUYJKFHVZXJO-YCYXIXDESA-N
SMILES： CC(C)[C@@H](C)C=C[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3)：
  • 5α-エルゴスタ-7,22-ジエン-3β,5-ジオール
  • (1R,3aR,5aR,7S,9aR,9bS,11aR)-1-[(2R,5R)-5,6-ジメチルヘプタ-3-エン-2-イル]-9a,11a-ジメチル-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-5a,7-ジオール
  • (1R,3aR,5aR,7S,9aR,9bS,11aR)-1-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-5a,7-diol
Other name (2)：
  • 5α-Ergosta-7,22-diene-3β,5-diol
  • 5alpha-Ergosta-7,22-diene-3beta,5-diol
KEGG COMPOUND： C04416
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