Chem
J-GLOBAL ID：200907015106017880   Nikkaji number：J1.517.188J

1-Hydroxy-2-decarboxy-21-oxo-19-deoxy-23-acetoxy-21,23-dihydrolimonoic acid 16,17-lactone

1-ヒドロキシ-2-デカルボキシ-21-オキソ-19-デオキシ-23-アセトキシ-21,23-ジヒドロリモン酸16,17-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： C27H34O10
Molecular formula furigana： C27-H34-O10
Molecular weight： 518.558
InChI： InChI=1S/C27H34O10/c1-12(28)33-17-10-13(20(30)34-17)18-23(4)9-8-14-24(5)15(22(2,3)37-26(24,7)32)11-16(29)25(14,6)27(23)19(36-27)21(31)35-18/h10,14-15,17-19,32H,8-9,11H2,1-7H3/t14-,15+,17?,18+,19-,23+,24-,25+,26+,27-/m1/s1
InChI key： KDPUMDMMWQGVQR-DYJYWIQOSA-N
SMILES： CC(=O)OC1OC(=O)C(=C1)[C@@H]1OC(=O)[C@H]2O[C@]32[C@@]1(C)CC[C@@H]1[C@]2(C)[C@@H](CC(=O)[C@@]31C)C(C)(C)O[C@]2(C)O
Systematic name  (3)：
  • 1-ヒドロキシ-2-デカルボキシ-21-オキソ-19-デオキシ-23-アセトキシ-21,23-ジヒドロリモン酸16,17-ラクトン
  • 4-[(1R,2R,4S,7R,8S,11R,12R,13S,16R)-13-ヒドロキシ-1,8,12,13,15,15-ヘキサメチル-5,18-ジオキソ-3,6,14-トリオキサペンタシクロ[9.7.0.02,4.02,8.012,16]オクタデカン-7-イル]-5-オキソ-2,5-ジヒドロフラン-2-イル アセタート
  • 4-[(1R,2R,4S,7R,8S,11R,12R,13S,16R)-13-hydroxy-1,8,12,13,15,15-hexamethyl-5,18-dioxo-3,6,14-trioxapentacyclo[9.7.0.02,4.02,8.012,16]octadecan-7-yl]-5-oxo-2,5-dihydrofuran-2-yl acetate
Other name (1)：
  • 1-Hydroxy-2-decarboxy-21-oxo-19-deoxy-23-acetoxy-21,23-dihydrolimonoic acid 16,17-lactone
Thsaurus map：
Thesaurus Map

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