Chem
J-GLOBAL ID：200907076777177865   Nikkaji number：J1.527.014D

Ergosta-6,22-diene-3β,5α,8α-triol

エルゴスタ-6,22-ジエン-3β,5α,8α-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： C28H46O3
Molecular formula furigana： C28-H46-O3
Molecular weight： 430.673
InChI： InChI=1S/C28H46O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26,30)15-16-28(23,24)31/h7-8,15-16,18-24,29-31H,9-14,17H2,1-6H3/t19-,20+,21-,22+,23+,24+,25+,26+,27+,28-/m0/s1
InChI key： UPJVQRZPXLZUET-SSMQBEIBSA-N
SMILES： CC(C)[C@@H](C)C=C[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@]2(O)C=C[C@@]2(O)C[C@@H](O)CC[C@]12C
Systematic name  (3)：
  • エルゴスタ-6,22-ジエン-3β,5α,8α-トリオール
  • (1R,3aR,3bS,5aS,7S,9aR,9bR,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,3bH,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-3b,5a,7-トリオール
  • (1R,3aR,3bS,5aS,7S,9aR,9bR,11aR)-1-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-3b,5a,7-triol
Other name (1)：
  • Ergosta-6,22-diene-3β,5α,8α-triol
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