Chem
J-GLOBAL ID：200907025564710370   Nikkaji number：J1.106.587B

Orthosiphol G

オルトシホールG
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： C36H42O10
Molecular formula furigana： C36-H42-O10
Molecular weight： 634.722
InChI： InChI=1S/C36H42O10/c1-7-34(5)19-23(38)27-35(6)24(18-25(39)36(27,43)32(34)42)33(3,4)28(44-20(2)37)26(45-30(40)21-14-10-8-11-15-21)29(35)46-31(41)22-16-12-9-13-17-22/h7-17,23-29,38-39,43H,1,18-19H2,2-6H3/t23-,24+,25-,26+,27-,28-,29+,34+,35+,36+/m1/s1
InChI key： YGYGUABDYAPDRQ-KXWDHPLKSA-N
SMILES： CC(=O)O[C@@H]1[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@]2(C)[C@@H](C[C@@H](O)[C@]3(O)[C@@H]2[C@H](O)C[C@](C)(C=C)C3=O)C1(C)C
Systematic name  (3)：
  • (13R)-1α,2α-ビス(ベンゾイルオキシ)-3α-アセトキシ-7α,8,11α-トリヒドロキシピマラ-15-エン-14-オン
  • (2S,3S,4R,4aS,4bS,5R,7R,8aR,9R,10aS)-2-(アセチルオキシ)-4-(ベンゾイルオキシ)-7-エテニル-5,8a,9-トリヒドロキシ-1,1,4a,7-テトラメチル-8-オキソ-テトラデカヒドロフェナントレン-3-イル ベンゾアート
  • (2S,3S,4R,4aS,4bS,5R,7R,8aR,9R,10aS)-2-(acetyloxy)-4-(benzoyloxy)-7-ethenyl-5,8a,9-trihydroxy-1,1,4a,7-tetramethyl-8-oxo-tetradecahydrophenanthren-3-yl benzoate
Other name (3)：
  • (13R)-1α,2α-Bis(benzoyloxy)-3α-acetoxy-7α,8,11α-trihydroxypimara-15-ene-14-one
  • オルトシホールG
  • Orthosiphol G
Thsaurus map：
Thesaurus Map

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