Chem
J-GLOBAL ID：201107089495161403
Nikkaji number：J2.982.694C
6β-[(R)-1,2-Dihydroxyethyl]-4β-[6β-[(R)-1,2-dihydroxyethyl]-4β,5β-dihydroxy-2β-(sodiooxycarbonyl)tetrahydro-2H-pyran-2-yloxy]-5β-hydroxy-2-(allyloxy)tetrahydro-2H-pyran-2β-carboxylic acid sodium salt
6β-[(R)-1,2-ジヒドロキシエチル]-4β-[6β-[(R)-1,2-ジヒドロキシエチル]-4β,5β-ジヒドロキシ-2β-(ソジオオキシカルボニル)テトラヒドロ-2H-ピラン-2-イルオキシ]-5β-ヒドロキシ-2-(アリルオキシ)テトラヒドロ-2H-ピラン-2β-カルボン酸ナトリウム
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： C19H28Na2O15
Molecular formula furigana： C19-H28-NA2-O15
Molecular weight： 542.398
InChI：
InChI=1S/C19H30O15.2Na/c1-2-3-31-18(16(27)28)5-11(13(26)15(33-18)10(24)7-21)32-19(17(29)30)4-8(22)12(25)14(34-19)9(23)6-20;;/h2,8-15,20-26H,1,3-7H2,(H,27,28)(H,29,30);;/q;2*+1/p-2/t8-,9-,10-,11-,12-,13-,14-,15-,18-,19-;;/m1../s1
InChI key：
PBELEVSSCLDWEJ-VDBMSGPDSA-L
SMILES：
OC[C@@H](O)[C@H]1O[C@@](C[C@@H](O)[C@H]1O)(O[C@@H]1C[C@@](OCC=C)(O[C@H]([C@H](O)CO)[C@@H]1O)C(=O)O[Na])C(=O)O[Na]
Systematic name (3)：
- 6β-[(R)-1,2-ジヒドロキシエチル]-4β-[6β-[(R)-1,2-ジヒドロキシエチル]-4β,5β-ジヒドロキシ-2β-(ソジオオキシカルボニル)テトラヒドロ-2H-ピラン-2-イルオキシ]-5β-ヒドロキシ-2-(アリルオキシ)テトラヒドロ-2H-ピラン-2β-カルボン酸ナトリウム
- ナトリウム (2R,4R,5R,6R)-6-[(1R)-1,2-ジヒドロキシエチル]-2-{[(2R,4R,5R,6R)-6-[(1R)-1,2-ジヒドロキシエチル]-5-ヒドロキシ-2-(プロパ-2-エン-1-イルオキシ)-2-[(ソジオオキシ)カルボニル]オキサン-4-イル]オキシ}-4,5-ジヒドロキシオキサン-2-カルボキシラート
- sodium (2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-2-{[(2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-5-hydroxy-2-(prop-2-en-1-yloxy)-2-[(sodiooxy)carbonyl]oxan-4-yl]oxy}-4,5-dihydroxyoxane-2-carboxylate
- 6β-[(R)-1,2-Dihydroxyethyl]-4β-[6β-[(R)-1,2-dihydroxyethyl]-4β,5β-dihydroxy-2β-(sodiooxycarbonyl)tetrahydro-2H-pyran-2-yloxy]-5β-hydroxy-2-(allyloxy)tetrahydro-2H-pyran-2β-carboxylic acid sodium salt
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