Chem
J-GLOBAL ID：200907081545035448   Nikkaji number：J1.920.814A

Paucifloroside B

パウシフロロシドB
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： C48H42O14
Molecular formula furigana： C48-H42-O14
Molecular weight： 842.850
InChI： InChI=1S/C48H42O14/c49-19-35-44(57)45(58)46(59)48(62-35)60-28-17-31-39(33(56)18-28)37(21-3-9-24(51)10-4-21)41-30-14-27(54)16-34-40(30)43(47(61-34)22-5-11-25(52)12-6-22)29-13-26(53)15-32(55)38(29)36(42(31)41)20-1-7-23(50)8-2-20/h1-18,35-37,41-59H,19H2/t35-,36?,37-,41-,42-,43+,44-,45+,46-,47?,48-/m1/s1
InChI key： BSNDXZQSVIPQKG-SRVZARHXSA-N
SMILES： OC[C@H]1O[C@@H](Oc2cc3[C@H]4[C@@H]([C@@H](c3c(O)c2)c2ccc(O)cc2)c2cc(O)cc3OC([C@H](c23)c2cc(O)cc(O)c2C4c2ccc(O)cc2)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • [(2S,3R,10S,18S)-3,11,19-トリス(4-ヒドロキシフェニル)-5,13,15,23-テトラヒドロキシ-20-オキサヘキサシクロ[19.3.1.02,10.04,9.012,17.018,25]ペンタコサン-1(24),4(9),5,7,12(17),13,15,21(25),22-ノナエン-7-イル]β-D-グルコピラノシド
  • (2S,3R,10S,18S)-3,11,19-トリス(4-ヒドロキシフェニル)-7-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-20-オキサヘキサシクロ[16.6.1.02,10.04,9.012,17.021,25]ペンタコサ-1(24),4(9),5,7,12,14,16,21(25),22-ノナエン-5,13,15,23-テトラオール
  • (2S,3R,10S,18S)-3,11,19-tris(4-hydroxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-20-oxahexacyclo[16.6.1.02,10.04,9.012,17.021,25]pentacosa-1(24),4(9),5,7,12,14,16,21(25),22-nonaene-5,13,15,23-tetrol
Other name (3)：
  • [(2S,3R,10S,18S)-3,11,19-Tris(4-hydroxyphenyl)-5,13,15,23-tetrahydroxy-20-oxahexacyclo[19.3.1.02,10.04,9.012,17.018,25]pentacosane-1(24),4(9),5,7,12(17),13,15,21(25),22-nonene-7-yl]β-D-glucopyranoside
  • パウシフロロシドB
  • Paucifloroside B
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