Chem
J-GLOBAL ID：200907002162638397   Nikkaji number：J924.634G

Rhoipteleanin C

ロイプテレアニンC
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： C68H48O44
Molecular formula furigana： C68-H48-O44
Molecular weight： 1569.088
InChI： InChI=1S/C68H48O44/c69-9-26-44(85)55-57(109-64(100)15-6-23(75)41(82)48(89)31(15)30-14(62(98)107-55)5-22(74)40(81)47(30)88)67(104-26)112-65(101)17-8-25(77)43(84)50(91)33(17)35-36-34(51(92)53(94)52(35)93)32-16(7-24(76)42(83)49(32)90)63(99)108-56-54-27(105-68(58(56)110-66(36)102)111-59(95)11-1-18(70)37(78)19(71)2-11)10-103-60(96)12-3-20(72)38(79)45(86)28(12)29-13(61(97)106-54)4-21(73)39(80)46(29)87/h1-8,26-27,44,54-58,67-94H,9-10H2/t26-,27-,44-,54-,55+,56+,57-,58-,67+,68+/m1/s1
InChI key： LSRCEVMFEQUWEQ-MVHUNWHCSA-N
SMILES： OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2c2c(O)c(O)c(O)c3c4c(O)c(O)c(O)cc4C(=O)O[C@H]4[C@@H]5OC(=O)c6cc(O)c(O)c(O)c6c6c(O)c(O)c(O)cc6C(=O)OC[C@H]5O[C@@H](OC(=O)c5cc(O)c(O)c(O)c5)[C@@H]4OC(=O)c23)[C@@H]2OC(=O)c3cc(O)c(O)c(O)c3c3c(O)c(O)c(O)cc3C(=O)O[C@H]2[C@@H]1O
Systematic name  (3)：
  • 1-O-(3,4,5-トリヒドロキシベンゾイル)-3-O,2-O-[2′′-[2-O,3-O-(4,4′,5,5′,6,6′-ヘキサヒドロキシビフェニル-2,2′-ジイルビスカルボニル)-β-D-グルコピラノシルオキシカルボニル]-4,4′,4′′,5,5′,5′′,6,6′,6′′-ノナヒドロキシ-1,1′:3′,1′′-テルベンゼン-2,2′-ジイルジカルボニル]-4-O,6-O-(4,4′,5,5′,6,6′-ヘキサヒドロキシビフェニル-2,2′-ジイルジカルボニル)-β-D-グルコピラノース
  • (10R,11S,13R,14R,15S)-3,4,5,14,20,21,22-ヘプタヒドロキシ-13-(ヒドロキシメチル)-8,17-ジオキソ-9,12,16-トリオキサテトラシクロ[16.4.0.02,7.010,15]ドコサ-1(22),2,4,6,18,20-ヘキサエン-11-イル 2-[(1R,2S,19R,20S,22R)-7,8,9,12,13,14,28,29,30,33,34,35-ドデカヒドロキシ-4,17,25,38-テトラオキソ-20-(3,4,5-トリヒドロキシベンゾイルオキシ)-3,18,21,24,39-ペンタオキサヘプタシクロ[20.17.0.02,19.05,10.011,16.026,31.032,37]ノナトリアコンタ-5,7,9,11(16),12,14,26,28,30,32,34,36-ドデカエン-15-イル]-3,4,5-トリヒドロキシベンゾアート
  • (10R,11S,13R,14R,15S)-3,4,5,14,20,21,22-heptahydroxy-13-(hydroxymethyl)-8,17-dioxo-9,12,16-trioxatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaen-11-yl 2-[(1R,2S,19R,20S,22R)-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-20-(3,4,5-trihydroxybenzoyloxy)-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11(16),12,14,26,28,30,32,34,36-dodecaen-15-yl]-3,4,5-trihydroxybenzoate
Other name (3)：
  • ロイプテレアニンC
  • Rhoipteleanin C
  • 1-O-(3,4,5-Trihydroxybenzoyl)-3-O,2-O-[2′′-[2-O,3-O-(4,4′,5,5′,6,6′-hexahydroxybiphenyl-2,2′-diylbiscarbonyl)-β-D-glucopyranosyloxycarbonyl]-4,4′,4′′,5,5′,5′′,6,6′,6′′-nonahydroxy-1,1′:3′,1′′-terbenzene-2,2′-diyldicarbonyl]-4-O,6-O-(4,4′,5,5′,6,6′-hexahydroxybiphenyl-2,2′-diyldicarbonyl)-β-D-glucopyranose
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