Chem
J-GLOBAL ID:200907054289833229
Nikkaji number:J1.309.506J
Sulfuric acid 3-[(2S)-2α-(3-methoxy-4-hydroxyphenyl)-3β-(hydroxymethyl)-7-methoxy-2,3-dihydrobenzofuran-5-yl]propyl ester
硫酸3-[(2S)-2α-(3-メトキシ-4-ヒドロキシフェニル)-3β-(ヒドロキシメチル)-7-メトキシ-2,3-ジヒドロベンゾフラン-5-イル]プロピル
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Substance type:
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
Molecular formula:
C20 H24 O9 S
Molecular formula furigana:
C20-H24-O9-S
Molecular weight:
440.460
InChI:
InChI=1S/C20H24O9S/c1-26-17-10-13(5-6-16(17)22)19-15(11-21)14-8-12(4-3-7-28-30(23,24)25)9-18(27-2)20(14)29-19/h5-6,8-10,15,19,21-22H,3-4,7,11H2,1-2H3,(H,23,24,25)/t15-,19+/m0/s1
InChI key:
KXNUUGLBJAAEGW-HNAYVOBHSA-N
SMILES:
COc1cc(CCCOS(=O)(=O)O)cc2[C@H](CO)[C@H](Oc12)c1ccc(O)c(OC)c1
Systematic name (3):
硫酸3-[(2S)-2α-(3-メトキシ-4-ヒドロキシフェニル)-3β-(ヒドロキシメチル)-7-メトキシ-2,3-ジヒドロベンゾフラン-5-イル]プロピル
{3-[(2S,3R)-2-(4-ヒドロキシ-3-メトキシフェニル)-3-(ヒドロキシメチル)-7-メトキシ-2,3-ジヒドロ-1-ベンゾフラン-5-イル]プロポキシ}スルホン酸
{3-[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propoxy}sulfonic acid
Other name (1):
Sulfuric acid 3-[(2S)-2α-(3-methoxy-4-hydroxyphenyl)-3β-(hydroxymethyl)-7-methoxy-2,3-dihydrobenzofuran-5-yl]propyl ester
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