Chem
J-GLOBAL ID：200907065206279740   Nikkaji number：J2.766.394J

(22S)-1α,3β,22,27-Tetrahydroxy-28-norergosta-5,24-diene-26-oic acid 26,22-lactone

(22S)-1α,3β,22,27-テトラヒドロキシ-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： C27H40O5
Molecular formula furigana： C27-H40-O5
Molecular weight： 444.612
InChI： InChI=1S/C27H40O5/c1-15(23-9-4-16(14-28)25(31)32-23)20-7-8-21-19-6-5-17-12-18(29)13-24(30)27(17,3)22(19)10-11-26(20,21)2/h4-5,15,18-24,28-30H,6-14H2,1-3H3/t15-,18+,19-,20+,21-,22-,23-,24-,26+,27-/m0/s1
InChI key： MSYBTRGPDYXLMZ-XJUKOZAFSA-N
SMILES： C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C)[C@@H]1CC=C(CO)C(=O)O1
Systematic name  (3)：
  • (22S)-1α,3β,22,27-テトラヒドロキシ-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,7R,9S,9aR,9bS,11aS)-7,9-ジヒドロキシ-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,7R,9S,9aR,9bS,11aS)-7,9-dihydroxy-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)-1α,3β,22,27-Tetrahydroxy-28-norergosta-5,24-diene-26-oic acid 26,22-lactone
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