Chem
J-GLOBAL ID:200907052775801760
Nikkaji number:J890.595I
GB-2a
(2S,2′S)-2,2′,3,3′-テトラヒドロ-5,5′,7,7′-テトラヒドロキシ-2α-(4-ヒドロキシフェニル)-2′α-(3,4-ジヒドロキシフェニル)-3β,8′-ビ[4H-1-ベンゾピラン]-4,4′-ジオン
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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:
C30 H22 O11
Molecular formula furigana:
C30-H22-O11
Molecular weight:
558.495
InChI:
InChI=1S/C30H22O11/c31-14-4-1-12(2-5-14)29-27(28(39)25-18(35)8-15(32)9-23(25)41-29)26-20(37)10-19(36)24-21(38)11-22(40-30(24)26)13-3-6-16(33)17(34)7-13/h1-10,22,27,29,31-37H,11H2/t22-,27-,29+/m0/s1
InChI key:
IMIXFUXOSFSXPC-DETITRACSA-N
SMILES:
Oc1ccc(cc1)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1c1c(O)cc(O)c2C(=O)C[C@H](Oc12)c1ccc(O)c(O)c1
Systematic name (3):
(2S,2′S)-2,2′,3,3′-テトラヒドロ-5,5′,7,7′-テトラヒドロキシ-2α-(4-ヒドロキシフェニル)-2′α-(3,4-ジヒドロキシフェニル)-3β,8′-ビ[4H-1-ベンゾピラン]-4,4′-ジオン
(2S,3R)-3-[(2S)-2-(3,4-ジヒドロキシフェニル)-5,7-ジヒドロキシ-4-オキソ-3,4-ジヒドロ-2H-1-ベンゾピラン-8-イル]-5,7-ジヒドロキシ-2-(4-ヒドロキシフェニル)-3,4-ジヒドロ-2H-1-ベンゾピラン-4-オン
(2S,3R)-3-[(2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
Other name (2):
GB-2a
(2S,2′S)-2,2′,3,3′-Tetrahydro-5,5′,7,7′-tetrahydroxy-2α-(4-hydroxyphenyl)-2′α-(3,4-dihydroxyphenyl)-3β,8′-bi[4H-1-benzopyran]-4,4′-dione
CAS registry number:
18412-96-9
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