Chem
J-GLOBAL ID：201507012529842577   Nikkaji number：J3.417.913A

Ergostane-7-ene-3α,5α,6α-triol

エルゴスタン-7-エン-3α,5α,6α-トリオール
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： C28H48O3
Molecular formula furigana： C28-H48-O3
Molecular weight： 432.689
InChI： InChI=1S/C28H48O3/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-15-25(30)28(31)16-20(29)11-14-27(28,6)24(21)12-13-26(22,23)5/h15,17-20,22-25,29-31H,7-14,16H2,1-6H3/t18-,19+,20+,22+,23-,24-,25-,26+,27+,28-/m0/s1
InChI key： JWMRKFVNKPPGSE-FBMWGIAZSA-N
SMILES： CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2C3=C[C@H](O)[C@@]4(O)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3)：
  • エルゴスタン-7-エン-3α,5α,6α-トリオール
  • (1R,3aR,5S,5aR,7R,9aR,9bS,11aR)-1-[(2R,5S)-5,6-ジメチルヘプタン-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-5,5a,7-トリオール
  • (1R,3aR,5S,5aR,7R,9aR,9bS,11aR)-1-[(2R,5S)-5,6-dimethylheptan-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-5,5a,7-triol
Other name (1)：
  • Ergostane-7-ene-3α,5α,6α-triol
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