Chem
J-GLOBAL ID:200907003436994221
Nikkaji number:J871.722B
Balanophonin
バラノホニン
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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 H20 O6
Molecular formula furigana:
C20-H20-O6
Molecular weight:
356.374
InChI:
InChI=1S/C20H20O6/c1-24-17-10-13(5-6-16(17)23)19-15(11-22)14-8-12(4-3-7-21)9-18(25-2)20(14)26-19/h3-10,15,19,22-23H,11H2,1-2H3/b4-3+/t15-,19+/m0/s1
InChI key:
GWCSSLSMGCFIFR-LNFBDUAVSA-N
SMILES:
COc1cc(/C=C/C=O)cc2[C@H](CO)[C@H](Oc12)c1ccc(O)c(OC)c1
Systematic name (3):
(E)-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]プロペナール
(2E)-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]プロパ-2-エナール
(2E)-3-[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enal
Other name (3):
バラノホニン
Balanophonin
(E)-3-[[(2S)-2α-(3-Methoxy-4-hydroxyphenyl)-3β-(hydroxymethyl)-7-methoxy-2,3-dihydrobenzofuran]-5-yl]propenal
CAS registry number:
80286-36-8
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