Chem
J-GLOBAL ID:200907051180873060   Nikkaji number:J1.334.312H

5,16-Dioxo-10,11-[oxybis(ethyleneoxyethyleneoxy)]-1α,4α:6α,15α-dimethano-7α,14α:8α,13α-diepoxy-1,4,4aα,5,5aα,6,6aβ,7,7aβ,8,13,13aβ,14,14aβ,15,15aα,16,16aα-octadecahydrohexacene-7,14-dicarboxylic acid dimethyl ester

5,16-ジオキソ-10,11-[オキシビス(エチレンオキシエチレンオキシ)]-1α,4α:6α,15α-ジメタノ-7α,14α:8α,13α-ジエポキシ-1,4,4aα,5,5aα,6,6aβ,7,7aβ,8,13,13aβ,14,14aβ,15,15aα,16,16aα-オクタデカヒドロヘキサセン-7,14-ジカルボン酸ジメチル
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: C40H44O13
Molecular formula furigana: C40-H44-O13
Molecular weight: 732.779
InChI: InChI=1S/C40H44O13/c1-45-37(43)39-29-21-14-22(28-27(21)33(41)25-17-3-4-18(13-17)26(25)34(28)42)30(29)40(53-39,38(44)46-2)32-31(39)35-19-15-23-24(16-20(19)36(32)52-35)51-12-10-49-8-6-47-5-7-48-9-11-50-23/h3-4,15-18,21-22,25-32,35-36H,5-14H2,1-2H3/t17-,18+,21+,22-,25-,26+,27+,28-,29+,30-,31+,32-,35-,36+,39+,40-
InChI key: NYGDUNIWGMGVMU-NOJVCHCMSA-N
SMILES: COC(=O)[C@]12O[C@]([C@@H]3[C@@H]4C[C@@H]([C@H]5[C@@H]4C(=O)[C@H]4[C@@H]6C[C@@H](C=C6)[C@H]4C5=O)[C@H]13)([C@H]1[C@H]3O[C@@H]([C@@H]21)c1cc2OCCOCCOCCOCCOc2cc31)C(=O)OC
Systematic name  (3):
  • 5,16-ジオキソ-10,11-[オキシビス(エチレンオキシエチレンオキシ)]-1α,4α:6α,15α-ジメタノ-7α,14α:8α,13α-ジエポキシ-1,4,4aα,5,5aα,6,6aβ,7,7aβ,8,13,13aβ,14,14aβ,15,15aα,16,16aα-オクタデカヒドロヘキサセン-7,14-ジカルボン酸ジメチル
  • 23,38-ジメチル (1R,21S,22S,23S,24S,25R,26S,28R,29S,32R,33S,35R,36S,37R,38R,39R)-27,34-ジオキソ-5,8,11,14,17,40,41-ヘプタオキサウンデカシクロ[19.18.1.123,38.125,36.129,32.02,20.04,18.022,39.024,37.026,35.028,33]トリテトラコンタ-2,4(18),19,30-テトラエン-23,38-ジカルボキシラート
  • 23,38-dimethyl (1R,21S,22S,23S,24S,25R,26S,28R,29S,32R,33S,35R,36S,37R,38R,39R)-27,34-dioxo-5,8,11,14,17,40,41-heptaoxaundecacyclo[19.18.1.123,38.125,36.129,32.02,20.04,18.022,39.024,37.026,35.028,33]tritetraconta-2,4(18),19,30-tetraene-23,38-dicarboxylate
Other name (1):
  • 5,16-Dioxo-10,11-[oxybis(ethyleneoxyethyleneoxy)]-1α,4α:6α,15α-dimethano-7α,14α:8α,13α-diepoxy-1,4,4aα,5,5aα,6,6aβ,7,7aβ,8,13,13aβ,14,14aβ,15,15aα,16,16aα-octadecahydrohexacene-7,14-dicarboxylic acid dimethyl ester
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