Chem
J-GLOBAL ID:200907005294293720
Nikkaji number:J866.428E
Broussoflavan A
ブルッソフラバン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:
C25 H30 O6
Molecular formula furigana:
C25-H30-O6
Molecular weight:
426.509
InChI:
InChI=1S/C25H30O6/c1-13(2)5-9-16-17(19-10-7-14-6-8-15(26)11-20(14)30-19)12-18-22(28)24(29)25(3,4)31-23(18)21(16)27/h5-6,8,11-12,19,22,24,26-29H,7,9-10H2,1-4H3/t19-,22?,24?/m0/s1
InChI key:
YJRPYTOREHMPPM-HRRASNIPSA-N
SMILES:
CC(=CCc1c(O)c2OC(C)(C)C(O)C(O)c2cc1[C@@H]1CCc2ccc(O)cc2O1)C
Systematic name (3):
(2S)-3,3′,4,4′-テトラヒドロ-2′,2′-ジメチル-7′-(3-メチル-2-ブテニル)-2,6′-ビ[2H-1-ベンゾピラン]-3′,4′,7,8′-テトラオール
6-[(2S)-7-ヒドロキシ-3,4-ジヒドロ-2H-1-ベンゾピラン-2-イル]-2,2-ジメチル-7-(3-メチルブタ-2-エン-1-イル)-3,4-ジヒドロ-2H-1-ベンゾピラン-3,4,8-トリオール
6-[(2S)-7-hydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-3,4,8-triol
Other name (3):
ブルッソフラバンA
Broussoflavan A
(2S)-3,3′,4,4′-Tetrahydro-2′,2′-dimethyl-7′-(3-methyl-2-butenyl)-2,6′-bi[2H-1-benzopyran]-3′,4′,7,8′-tetrol
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