Chem
J-GLOBAL ID：200907049388794886   Nikkaji number：J1.517.189H

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

1-メトキシ-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： C28H36O10
Molecular formula furigana： C28-H36-O10
Molecular weight： 532.586
InChI： InChI=1S/C28H36O10/c1-13(29)34-18-11-14(21(31)35-18)19-24(4)10-9-15-25(5)16(23(2,3)38-27(25,7)33-8)12-17(30)26(15,6)28(24)20(37-28)22(32)36-19/h11,15-16,18-20H,9-10,12H2,1-8H3/t15-,16+,18?,19+,20-,24+,25-,26+,27+,28-/m1/s1
InChI key： INQLPJIMVQXLLZ-ONQYIFIUSA-N
SMILES： CO[C@@]1(C)OC(C)(C)[C@@H]2CC(=O)[C@]3(C)[C@H](CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@@]345)C3=CC(OC(=O)C)OC3=O)[C@@]12C
Systematic name  (3)：
  • 1-メトキシ-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-メトキシ-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-methoxy-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-Methoxy-2-decarboxy-21-oxo-19-deoxy-23-acetoxy-21,23-dihydrolimonoic acid 16,17-lactone
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