Chem
J-GLOBAL ID：200907025561749283   Nikkaji number：J185.461E

Elaeocarpusin

エラエオカルプシン
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： C47H34O32
Molecular formula furigana： C47-H34-O32
Molecular weight： 1110.757
InChI： InChI=1S/C47H34O32/c48-13-1-9(2-14(49)24(13)55)36(61)77-40-33-32-30(19(72-40)8-70-37(62)10-3-15(50)25(56)28(59)21(10)22-11(38(63)73-32)4-16(51)26(57)29(22)60)75-41(65)44-20(54)6-43(67,79-45(44)42(66)76-35-18(53)7-71-47(35,45)69)46(68)34(44)23-12(39(64)74-33)5-17(52)27(58)31(23)78-46/h1-5,18-19,30,32-35,40,48-53,55-60,67-69H,6-8H2/t18?,19-,30-,32+,33-,34?,35?,40+,43?,44?,45?,46?,47?/m1/s1
InChI key： VWIKDFCAGPFBQM-DEERDZCDSA-N
SMILES： OC1COC2(O)C1OC(=O)C12OC2(O)CC(=O)C31C1c4c(OC21O)c(O)c(O)cc4C(=O)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(O)c2)O[C@@H]2COC(=O)c4cc(O)c(O)c(O)c4c4c(O)c(O)c(O)cc4C(=O)O[C@H]1[C@@H]2OC3=O
Systematic name  (3)：
  • 1-O-(3,4,5-トリヒドロキシベンゾイル)-3-O,6-O-[2,2′,3,3′,4,4′-ヘキサヒドロキシ[1,1′-ビフェニル]-6,6′-ジイルビスカルボニル]-4-O,2-O-[[1,3′a,4,4a,5′,6′,6′a,9a-オクタヒドロ-1,3′a,6′,7,8,9a-ヘキサヒドロキシ-2′,10-ジオキソスピロ[1,4-エタノ-3H-ピラノ[3,4-b]ベンゾフラン-3,3′(2′H)-フロ[3,2-b]フラン]-4,5-ジイル]ジカルボニル]-β-D-グルコピラノース
  • (4'R,5'S,23'R,25'S,26'R)-3a,6,10',11',12',15',16',17',31',32',36',37'-ドデカヒドロキシ-2,2',7',20',28',40'-ヘキサオキソ-3a,5,6,6a-テトラヒドロ-2H-3',6',21',24',27',38',42'-ヘプタオキサスピロ[フロ[3,2-b]フラン-3,39'-ノナシクロ[35.2.2.133,36.01,35.04,23.05,26.08,13.014,19.029,34]ドテトラコンタン]-8',10',12',14',16',18',29',31',33'-ノナエン-25'-イル 3,4,5-トリヒドロキシベンゾアート
  • (4'R,5'S,23'R,25'S,26'R)-3a,6,10',11',12',15',16',17',31',32',36',37'-dodecahydroxy-2,2',7',20',28',40'-hexaoxo-3a,5,6,6a-tetrahydro-2H-3',6',21',24',27',38',42'-heptaoxaspiro[furo[3,2-b]furan-3,39'-nonacyclo[35.2.2.133,36.01,35.04,23.05,26.08,13.014,19.029,34]dotetracontane]-8',10',12',14',16',18',29',31',33'-nonaen-25'-yl 3,4,5-trihydroxybenzoate
Other name (5)：
  • Elaeocarpusin
  • エラエオカルプシン
  • 1-O-(3,4,5-Trihydroxybenzoyl)-3-O,6-O-[2,2′,3,3′,4,4′-hexahydroxy[1,1′-biphenyl]-6,6′-diylbiscarbonyl]-4-O,2-O-[[1,3′a,4,4a,5′,6′,6′a,9a-octahydro-1,3′a,6′,7,8,9a-hexahydroxy-2′,10-dioxospiro[1,4-ethano-3H-pyrano[3,4-b]benzofuran-3,3′(2′H)-furo[3,2-b]furan]-4,5-diyl]dicarbonyl]-β-D-glucopyranose
  • アスコルゲラニイン
  • Ascorgeraniin
CAS registry number： 102382-31-0
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