Chem
J-GLOBAL ID：200907098096245858
Nikkaji number：J597.682K
(+)-SB-209670
1α-(1,3-ベンゾジオキソール-5-イル)-3α-[2-(2-ヒドロキシ-2-オキソエトキシ)-4-メトキシフェニル]-5-プロポキシインダン-2β-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： C29H28O9
Molecular formula furigana： C29-H28-O9
Molecular weight： 520.534
InChI：
InChI=1S/C29H28O9/c1-3-10-35-18-6-7-19-21(12-18)27(20-8-5-17(34-2)13-23(20)36-14-25(30)31)28(29(32)33)26(19)16-4-9-22-24(11-16)38-15-37-22/h4-9,11-13,26-28H,3,10,14-15H2,1-2H3,(H,30,31)(H,32,33)/t26-,27+,28+/m0/s1
InChI key：
UUAVCCWBNUITBB-UPRLRBBYSA-N
SMILES：
CCCOc1ccc2[C@@H]([C@H]([C@@H](c2c1)c1ccc(OC)cc1OCC(=O)O)C(=O)O)c1ccc2OCOc2c1
Systematic name (4)：
- (1S,2R,3S)-1-(1,3-ベンゾジオキソール-5-イル)-3-[2-(カルボキシメトキシ)-4-メトキシフェニル]-2,3-ジヒドロ-5-プロポキシ-1H-インデン-2-カルボン酸
- 1α-(1,3-ベンゾジオキソール-5-イル)-3α-[2-(2-ヒドロキシ-2-オキソエトキシ)-4-メトキシフェニル]-5-プロポキシインダン-2β-カルボン酸
- (1S,2R,3S)-1-(2H-1,3-ベンゾジオキソール-5-イル)-3-[2-(カルボキシメトキシ)-4-メトキシフェニル]-5-プロポキシ-2,3-ジヒドロ-1H-インデン-2-カルボン酸
- (1S,2R,3S)-1-(2H-1,3-benzodioxol-5-yl)-3-[2-(carboxymethoxy)-4-methoxyphenyl]-5-propoxy-2,3-dihydro-1H-indene-2-carboxylic acid
- 1α-(1,3-Benzodioxol-5-yl)-3α-[2-(2-hydroxy-2-oxoethoxy)-4-methoxyphenyl]-5-propoxyindan-2β-carboxylic acid
- (+)-SB-209670
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