Chem
J-GLOBAL ID：202107013139368622
Nikkaji number：J3.758.463K
(1R,13R,17S,18S)-15-オキソ-18-[3-(ピバロイルオキシ)プロピル]-18-メチル-9,14,16-トリオキサテトラシクロ[9.7.0.03,8.013,17]オクタデカ-3(8),4,6,11-テトラエン-5-カルボン酸メチル
(1R,13R,17S,18S)-15-オキソ-18-[3-(ピバロイルオキシ)プロピル]-18-メチル-9,14,16-トリオキサテトラシクロ[9.7.0.03,8.013,17]オクタデカ-3(8),4,6,11-テトラエン-5-カルボン酸メチル
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
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
Molecular formula： C26H32O8
Molecular formula furigana： C26-H32-O8
Molecular weight： 472.534
InChI：
InChI=1S/C26H32O8/c1-25(2,3)23(28)31-10-6-9-26(4)18-12-16-11-15(22(27)30-5)7-8-19(16)32-14-17(18)13-20-21(26)34-24(29)33-20/h7-8,11,13,18,20-21H,6,9-10,12,14H2,1-5H3/t18-,20-,21-,26+/m1/s1
InChI key：
GZVWRDXUHLFYEH-STLTWMRASA-N
SMILES：
[C@@H]12Cc3cc(ccc3OCC1=C[C@H]1OC(=O)O[C@H]1[C@@]2(C)CCCOC(=O)C(C)(C)C)C(=O)OC
Systematic name (3)：
- (1R,13R,17S,18S)-15-オキソ-18-[3-(ピバロイルオキシ)プロピル]-18-メチル-9,14,16-トリオキサテトラシクロ[9.7.0.03,8.013,17]オクタデカ-3(8),4,6,11-テトラエン-5-カルボン酸メチル
- メチル(1R,13R,17S,18S)-18-{3-[(2,2-ジメチルプロパノイル)オキシ]プロピル}-18-メチル-15-オキソ-9,14,16-トリオキサテトラシクロ[9.7.0.03,8.013,17]オクタデカ-3(8),4,6,11-テトラエン-5-カルボキシラート
- methyl (1R,13R,17S,18S)-18-{3-[(2,2-dimethylpropanoyl)oxy]propyl}-18-methyl-15-oxo-9,14,16-trioxatetracyclo[9.7.0.03,8.013,17]octadeca-3(8),4,6,11-tetraene-5-carboxylate
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