Chem
J-GLOBAL ID：200907040420122251   Nikkaji number：J2.766.399K

(22S)-3β,22,27-Trihydroxy-28-norergosta-5,24-diene-26-oic acid 26,22-lactone

(22S)-3β,22,27-トリヒドロキシ-28-ノルエルゴスタ-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： C27H40O4
Molecular formula furigana： C27-H40-O4
Molecular weight： 428.613
InChI： InChI=1S/C27H40O4/c1-16(24-9-4-17(15-28)25(30)31-24)21-7-8-22-20-6-5-18-14-19(29)10-12-26(18,2)23(20)11-13-27(21,22)3/h4-5,16,19-24,28-29H,6-15H2,1-3H3/t16-,19-,20-,21+,22-,23-,24-,26-,27+/m0/s1
InChI key： DDEPTGBPVOPQPT-NLSFXZJGSA-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
Systematic name  (3)：
  • (22S)-3β,22,27-トリヒドロキシ-28-ノルエルゴスタ-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)-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)-5,6-dihydro-2H-pyran-2-one
Other name (1)：
  • (22S)-3β,22,27-Trihydroxy-28-norergosta-5,24-diene-26-oic acid 26,22-lactone
Thsaurus map：
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