Chem
J-GLOBAL ID：200907036344551485   Nikkaji number：J1.537.854I

Cordiaketal A

コルジアケタールA
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： C32H48O6
Molecular formula furigana： C32-H48-O6
Molecular weight： 528.730
InChI： InChI=1S/C32H48O6/c1-18-19(2)25(38-20(3)34)26(35)30(16-33)13-12-28(6)21(24(18)30)8-9-23-29(28,7)11-10-22-27(4,5)32(36)15-14-31(22,23)17-37-32/h8,16,18-19,22-26,35-36H,9-15,17H2,1-7H3/t18-,19-,22-,23-,24-,25+,26+,28+,29+,30-,31+,32-/m0/s1
InChI key： BUWLDTBBLCMHLK-UQJMOKCCSA-N
SMILES： C[C@H]1[C@H](C)[C@H]2C3=CC[C@H]4[C@@](C)(CC[C@H]5C(C)(C)[C@]6(O)CC[C@]45CO6)[C@]3(C)CC[C@@]2(C=O)[C@H](O)[C@@H]1OC(=O)C
Systematic name  (3)：
  • 3,22β-ジヒドロキシ-21β-アセトキシ-3β,25-エポキシウルサ-12-エン-28-アール
  • (1S,2S,6S,7R,8S,9R,10S,11S,14S,15R,18R,20S)-11-ホルミル-10,20-ジヒドロキシ-7,8,14,15,19,19-ヘキサメチル-21-オキサヘキサシクロ[18.2.2.01,18.02,15.05,14.06,11]テトラコサ-4-エン-9-イル アセタート
  • (1S,2S,6S,7R,8S,9R,10S,11S,14S,15R,18R,20S)-11-formyl-10,20-dihydroxy-7,8,14,15,19,19-hexamethyl-21-oxahexacyclo[18.2.2.01,18.02,15.05,14.06,11]tetracos-4-en-9-yl acetate
Other name (3)：
  • 3,22β-Dihydroxy-21β-acetoxy-3β,25-epoxyurs-12-ene-28-al
  • コルジアケタールA
  • Cordiaketal A
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