Chem
J-GLOBAL ID：201107032547908136
Nikkaji number：J2.982.696J
6β-[(R)-1-Hydroxy-2-[6β-[(R)-1,2-dihydroxyethyl]-4β,5β-dihydroxy-2β-(sodiooxycarbonyl)tetrahydro-2H-pyran-2-yloxy]ethyl]-4β,5β-dihydroxy-2-(allyloxy)tetrahydro-2H-pyran-2β-carboxylic acid sodium salt
6β-[(R)-1-ヒドロキシ-2-[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]エチル]-4β,5β-ジヒドロキシ-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)4-8(21)13(26)15(34-18)11(24)7-32-19(17(29)30)5-9(22)12(25)14(33-19)10(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：
OHILILDIJSGYOB-VDBMSGPDSA-L
SMILES：
OC[C@@H](O)[C@H]1O[C@@](C[C@@H](O)[C@H]1O)(OC[C@@H](O)[C@H]1O[C@@](C[C@@H](O)[C@H]1O)(OCC=C)C(=O)O[Na])C(=O)O[Na]
Systematic name (3)：
- 6β-[(R)-1-ヒドロキシ-2-[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]エチル]-4β,5β-ジヒドロキシ-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)-2-[(2R)-2-[(2R,3R,4R,6R)-3,4-ジヒドロキシ-6-(プロパ-2-エン-1-イルオキシ)-6-[(ソジオオキシ)カルボニル]オキサン-2-イル]-2-ヒドロキシエトキシ]-6-[(1R)-1,2-ジヒドロキシエチル]-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)-2-[(2R)-2-[(2R,3R,4R,6R)-3,4-dihydroxy-6-(prop-2-en-1-yloxy)-6-[(sodiooxy)carbonyl]oxan-2-yl]-2-hydroxyethoxy]-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxane-2-carboxylate
- 6β-[(R)-1-Hydroxy-2-[6β-[(R)-1,2-dihydroxyethyl]-4β,5β-dihydroxy-2β-(sodiooxycarbonyl)tetrahydro-2H-pyran-2-yloxy]ethyl]-4β,5β-dihydroxy-2-(allyloxy)tetrahydro-2H-pyran-2β-carboxylic acid sodium salt
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