Chem
J-GLOBAL ID：201307053613409490
Nikkaji number：J3.132.583H
(4S)-3-[3-(4-Methylphenyl)-2-propenyl]-4α-hydroxy-5β-(acetylamino)-6α-[(1R,2R)-1,2,3-trihydroxypropyl]-5,6-dihydro-4H-pyran-2-carboxylic acid
(4S)-3-[3-(4-メチルフェニル)-2-プロペニル]-4α-ヒドロキシ-5β-(アセチルアミノ)-6α-[(1R,2R)-1,2,3-トリヒドロキシプロピル]-5,6-ジヒドロ-4H-ピラン-2-カルボン酸
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： C21H27NO8
Molecular formula furigana： C21-H27-N-O8
Molecular weight： 421.446
InChI：
InChI=1S/C21H27NO8/c1-11-6-8-13(9-7-11)4-3-5-14-17(26)16(22-12(2)24)20(18(27)15(25)10-23)30-19(14)21(28)29/h3-4,6-9,15-18,20,23,25-27H,5,10H2,1-2H3,(H,22,24)(H,28,29)/t15-,16-,17+,18-,20-/m1/s1
InChI key：
CCPSTGRFUHTVNN-BFMVXSJESA-N
SMILES：
CC(=O)N[C@@H]1[C@@H](O)C(=C(O[C@H]1[C@H](O)[C@H](O)CO)C(=O)O)CC=Cc1ccc(C)cc1
Systematic name (3)：
- (4S)-3-[3-(4-メチルフェニル)-2-プロペニル]-4α-ヒドロキシ-5β-(アセチルアミノ)-6α-[(1R,2R)-1,2,3-トリヒドロキシプロピル]-5,6-ジヒドロ-4H-ピラン-2-カルボン酸
- (2R,3R,4S)-3-アセトアミド-4-ヒドロキシ-5-[3-(4-メチルフェニル)プロパ-2-エン-1-イル]-2-[(1R,2R)-1,2,3-トリヒドロキシプロピル]-3,4-ジヒドロ-2H-ピラン-6-カルボン酸
- (2R,3R,4S)-3-acetamido-4-hydroxy-5-[3-(4-methylphenyl)prop-2-en-1-yl]-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid
- (4S)-3-[3-(4-Methylphenyl)-2-propenyl]-4α-hydroxy-5β-(acetylamino)-6α-[(1R,2R)-1,2,3-trihydroxypropyl]-5,6-dihydro-4H-pyran-2-carboxylic acid
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