Chem
J-GLOBAL ID：200907077688100235   Nikkaji number：J1.920.807I

(2S,3R,10S,11S,18S,19S)-3,11,19-Tris(4-hydroxyphenyl)-20-oxahexacyclo[16.6.1.02,10.04,9.012,17.021,25]pentacosane-1(24),4(9),5,7,12(17),13,15,21(25),22-nonaene-5,7,13,15,23-pentaol

(2S,3R,10S,11S,18S,19S)-3,11,19-トリス(4-ヒドロキシフェニル)-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(25),4,6,8,12,14,16,21,23-ノナエン-5,7,13,15,23-ペンタオール
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： C42H32O9
Molecular formula furigana： C42-H32-O9
Molecular weight： 680.709
InChI： InChI=1S/C42H32O9/c43-22-7-1-19(2-8-22)34-36-28(13-25(46)16-31(36)49)39-35(20-3-9-23(44)10-4-20)37-29(14-26(47)17-32(37)50)41-38-30(40(34)39)15-27(48)18-33(38)51-42(41)21-5-11-24(45)12-6-21/h1-18,34-35,39-50H/t34-,35+,39-,40-,41+,42-/m1/s1
InChI key： UXHSAOFTHSNXMK-WGTVWUQASA-N
SMILES： Oc1ccc(cc1)[C@H]1Oc2cc(O)cc3[C@H]4[C@@H]([C@@H](c5ccc(O)cc5)c5c(O)cc(O)cc5[C@H]1c23)c1cc(O)cc(O)c1[C@H]4c1ccc(O)cc1
Systematic name  (3)：
  • (2S,3R,10S,11S,18S,19S)-3,11,19-トリス(4-ヒドロキシフェニル)-20-オキサヘキサシクロ[16.6.1.02,10.04,9.012,17.021,25]ペンタコサン-1(24),4(9),5,7,12(17),13,15,21(25),22-ノナエン-5,7,13,15,23-ペンタオール
  • (2S,3R,10S,11S,18S,19S)-3,11,19-トリス(4-ヒドロキシフェニル)-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(25),4,6,8,12,14,16,21,23-ノナエン-5,7,13,15,23-ペンタオール
  • (2S,3R,10S,11S,18S,19S)-3,11,19-tris(4-hydroxyphenyl)-20-oxahexacyclo[16.6.1.02,10.04,9.012,17.021,25]pentacosa-1(25),4,6,8,12,14,16,21,23-nonaene-5,7,13,15,23-pentol
Other name (1)：
  • (2S,3R,10S,11S,18S,19S)-3,11,19-Tris(4-hydroxyphenyl)-20-oxahexacyclo[16.6.1.02,10.04,9.012,17.021,25]pentacosane-1(24),4(9),5,7,12(17),13,15,21(25),22-nonaene-5,7,13,15,23-pentaol
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