Chem
J-GLOBAL ID:200907000649798800   Nikkaji number:J2.511.789A

1-Acetyl-5,6β,17β-trihydroxy-1,2-seco-5α-androstane-2-oic acid 2,5-lactone

1-アセチル-5,6β,17β-トリヒドロキシ-1,2-セコ-5α-アンドロスタン-2-酸2,5-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: C21H32O5
Molecular formula furigana: C21-H32-O5
Molecular weight: 364.482
InChI: InChI=1S/C21H32O5/c1-12(22)11-20(3)15-6-8-19(2)14(4-5-16(19)23)13(15)10-17(24)21(20)9-7-18(25)26-21/h13-17,23-24H,4-11H2,1-3H3/t13-,14-,15-,16-,17+,19-,20+,21-/m0/s1
InChI key: DLMWVZRUFXIYTH-UKLRKDRTSA-N
SMILES: CC(=O)C[C@]1(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@@H]2C[C@@H](O)[C@]21CCC(=O)O2
Systematic name  (3):
  • 1-アセチル-5,6β,17β-トリヒドロキシ-1,2-セコ-5α-アンドロスタン-2-酸2,5-ラクトン
  • (3S,3aS,5aS,6R,7R,8R,9aS,9bS)-3,8-ジヒドロキシ-3a,6-ジメチル-6-(2-オキソプロピル)-ドデカヒドロスピロ[シクロペンタ[a]ナフタレン-7,2'-オキソラン]-5'-オン
  • (3S,3aS,5aS,6R,7R,8R,9aS,9bS)-3,8-dihydroxy-3a,6-dimethyl-6-(2-oxopropyl)-dodecahydrospiro[cyclopenta[a]naphthalene-7,2'-oxolan]-5'-one
Other name (1):
  • 1-Acetyl-5,6β,17β-trihydroxy-1,2-seco-5α-androstane-2-oic acid 2,5-lactone
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