Chem
J-GLOBAL ID:200907063931074271
Nikkaji number:J2.510.156A
3,4,6-Trihydroxy-1-[(2R)-3,4-dihydro-3α,5,7-trihydroxy-2H-1-benzopyran-2α-yl]-8-[(2R)-3,4-dihydro-3α-(3-methoxy-4,5-dihydroxybenzoyloxy)-5,7-dihydroxy-2H-1-benzopyran-2α-yl]-5H-benzocycloheptene-5-one
3,4,6-トリヒドロキシ-1-[(2R)-3,4-ジヒドロ-3α,5,7-トリヒドロキシ-2H-1-ベンゾピラン-2α-イル]-8-[(2R)-3,4-ジヒドロ-3α-(3-メトキシ-4,5-ジヒドロキシベンゾイルオキシ)-5,7-ジヒドロキシ-2H-1-ベンゾピラン-2α-イル]-5H-ベンゾシクロヘプテン-5-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:
C37 H30 O16
Molecular formula furigana:
C37-H30-O16
Molecular weight:
730.631
InChI:
InChI=1S/C37H30O16/c1-50-29-5-14(4-23(42)32(29)46)37(49)53-30-12-20-22(41)7-16(39)9-28(20)51-35(30)13-2-17-18(10-25(44)34(48)31(17)33(47)24(43)3-13)36-26(45)11-19-21(40)6-15(38)8-27(19)52-36/h2-10,26,30,35-36,38-42,44-46,48H,11-12H2,1H3,(H,43,47)/t26-,30-,35-,36-/m1/s1
InChI key:
MDDGEHALJUZWLJ-VVXGFMLMSA-N
SMILES:
COc1cc(cc(O)c1O)C(=O)O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(=O)c2c(O)c(O)cc([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)c2c1
Systematic name (3):
3,4,6-トリヒドロキシ-1-[(2R)-3,4-ジヒドロ-3α,5,7-トリヒドロキシ-2H-1-ベンゾピラン-2α-イル]-8-[(2R)-3,4-ジヒドロ-3α-(3-メトキシ-4,5-ジヒドロキシベンゾイルオキシ)-5,7-ジヒドロキシ-2H-1-ベンゾピラン-2α-イル]-5H-ベンゾシクロヘプテン-5-オン
(2R,3R)-5,7-ジヒドロキシ-2-{3,4,6-トリヒドロキシ-5-オキソ-1-[(2R,3R)-3,5,7-トリヒドロキシ-3,4-ジヒドロ-2H-1-ベンゾピラン-2-イル]-5H-ベンゾ[7]アンヌレン-8-イル}-3,4-ジヒドロ-2H-1-ベンゾピラン-3-イル 3,4-ジヒドロキシ-5-メトキシベンゾアート
(2R,3R)-5,7-dihydroxy-2-{3,4,6-trihydroxy-5-oxo-1-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]-5H-benzo[7]annulen-8-yl}-3,4-dihydro-2H-1-benzopyran-3-yl 3,4-dihydroxy-5-methoxybenzoate
Other name (1):
3,4,6-Trihydroxy-1-[(2R)-3,4-dihydro-3α,5,7-trihydroxy-2H-1-benzopyran-2α-yl]-8-[(2R)-3,4-dihydro-3α-(3-methoxy-4,5-dihydroxybenzoyloxy)-5,7-dihydroxy-2H-1-benzopyran-2α-yl]-5H-benzocycloheptene-5-one
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