Chem
J-GLOBAL ID:200907019336732843
Nikkaji number:J2.002.722C
Junipercomnoside A
ジュニペルコムノシドA
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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:
C24 H30 O10
Molecular formula furigana:
C24-H30-O10
Molecular weight:
478.494
InChI:
InChI=1S/C24H30O10/c1-31-19-9-13(4-5-18(19)33-24-21(30)20(29)17(28)11-32-24)22-15(10-26)14-7-12(3-2-6-25)8-16(27)23(14)34-22/h4-5,7-9,15,17,20-22,24-30H,2-3,6,10-11H2,1H3/t15-,17+,20-,21+,22+,24-/m0/s1
InChI key:
QDWGYCCSJIYJAE-MIUOABQOSA-N
SMILES:
COc1cc(ccc1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)[C@H]1Oc2c(cc(CCCO)cc2O)[C@@H]1CO
Systematic name (4):
(2S)-2α-[3-メトキシ-4-(β-D-キシロピラノシルオキシ)フェニル]-3β-(ヒドロキシメチル)-5-(3-ヒドロキシプロピル)-2,3-ジヒドロベンゾフラン-7-オール
(2S,3R)-2-[4-(β-D-キシロピラノシルオキシ)-3-メトキシフェニル]-3-(ヒドロキシメチル)-5-(3-ヒドロキシプロピル)-2,3-ジヒドロベンゾフラン-7-オール
(2S,3R,4S,5R)-2-{4-[(2S,3R)-7-ヒドロキシ-3-(ヒドロキシメチル)-5-(3-ヒドロキシプロピル)-2,3-ジヒドロ-1-ベンゾフラン-2-イル]-2-メトキシフェノキシ}オキサン-3,4,5-トリオール
(2S,3R,4S,5R)-2-{4-[(2S,3R)-7-hydroxy-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy}oxane-3,4,5-triol
Other name (4):
(2S)-2α-[3-Methoxy-4-(β-D-xylopyranosyloxy)phenyl]-3β-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydrobenzofuran-7-ol
Junipercomnoside A
ジュニペルコムノシドA
(2S,3R)-2-[4-(β-D-Xylopyranosyloxy)-3-methoxyphenyl]-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydrobenzofuran-7-ol
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