Chem
J-GLOBAL ID：200907037684049730   Nikkaji number：J2.766.397D

(22S)-3β,22,27-Trihydroxyergosta-5,24-diene-26-oic acid 26,22-lactone

(22S)-3β,22,27-トリヒドロキシエルゴスタ-5,24-ジエン-26-酸26,22-ラクトン
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： C28H42O4
Molecular formula furigana： C28-H42-O4
Molecular weight： 442.640
InChI： InChI=1S/C28H42O4/c1-16-13-25(32-26(31)21(16)15-29)17(2)22-7-8-23-20-6-5-18-14-19(30)9-11-27(18,3)24(20)10-12-28(22,23)4/h5,17,19-20,22-25,29-30H,6-15H2,1-4H3/t17-,19-,20-,22+,23-,24-,25-,27-,28+/m0/s1
InChI key： FYHOQSAOZVDINS-IYBPKSCGSA-N
SMILES： C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)[C@@H]1CC(=C(CO)C(=O)O1)C
Systematic name  (3)：
  • (22S)-3β,22,27-トリヒドロキシエルゴスタ-5,24-ジエン-26-酸26,22-ラクトン
  • (6S)-6-[(1S)-1-[(1R,3aS,3bS,7S,9aR,9bS,11aS)-7-ヒドロキシ-9a,11a-ジメチル-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-1-イル]エチル]-3-(ヒドロキシメチル)-4-メチル-5,6-ジヒドロ-2H-ピラン-2-オン
  • (6S)-6-[(1S)-1-[(1R,3aS,3bS,7S,9aR,9bS,11aS)-7-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]ethyl]-3-(hydroxymethyl)-4-methyl-5,6-dihydro-2H-pyran-2-one
Other name (1)：
  • (22S)-3β,22,27-Trihydroxyergosta-5,24-diene-26-oic acid 26,22-lactone
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