Chem
J-GLOBAL ID：200907068150487823   Nikkaji number：J978.837I

GR-133686

3α-アセトキシ-16β-ヒドロキシ-23-オキソ-5α-オイファ-7,24-ジエン-21,28-二酸21,16-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： C32H44O7
Molecular formula furigana： C32-H44-O7
Molecular weight： 540.697
InChI： InChI=1S/C32H44O7/c1-17(2)14-19(34)15-20-26-23(39-27(20)35)16-31(6)22-8-9-24-29(4,21(22)10-13-30(26,31)5)12-11-25(38-18(3)33)32(24,7)28(36)37/h8,14,20-21,23-26H,9-13,15-16H2,1-7H3,(H,36,37)/t20-,21+,23+,24-,25-,26-,29-,30+,31-,32+/m1/s1
InChI key： FILHRDIXAYLUHH-XTURJDPMSA-N
SMILES： CC(=CC(=O)C[C@@H]1[C@@H]2[C@H](C[C@]3(C)C4=CC[C@@H]5[C@](C)(CC[C@@H](OC(=O)C)[C@@]5(C)C(=O)O)[C@H]4CC[C@@]23C)OC1=O)C
Systematic name  (4)：
  • 3α-アセトキシ-16β,28-ジヒドロキシ-23,28-ジオキソ-5α-オイファ-7,24-ジエン-21-酸21,16-ラクトン
  • 3α-アセトキシ-16β-ヒドロキシ-23-オキソ-5α-オイファ-7,24-ジエン-21,28-二酸21,16-ラクトン
  • (2S,4S,7R,8S,9S,12R,13R,16R,17S,18R)-16-(アセチルオキシ)-2,9,13,17-テトラメチル-7-(4-メチル-2-オキソペンタ-3-エン-1-イル)-6-オキソ-5-オキサペンタシクロ[10.8.0.02,9.04,8.013,18]イコサ-1(20)-エン-17-カルボン酸
  • (2S,4S,7R,8S,9S,12R,13R,16R,17S,18R)-16-(acetyloxy)-2,9,13,17-tetramethyl-7-(4-methyl-2-oxopent-3-en-1-yl)-6-oxo-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-1(20)-ene-17-carboxylic acid
Other name (3)：
  • 3α-Acetoxy-16β,28-dihydroxy-23,28-dioxo-5α-eupha-7,24-diene-21-oic acid 21,16-lactone
  • GR-133686
  • 3α-Acetoxy-16β-hydroxy-23-oxo-5α-eupha-7,24-diene-21,28-dioic acid 21,16-lactone
Thsaurus map：
Thesaurus Map

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