Chem
J-GLOBAL ID：200907014096604980   Nikkaji number：J1.106.586D

Orthosiphol F

オルトシホールF
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： C43H46O11
Molecular formula furigana： C43-H46-O11
Molecular weight： 738.830
InChI： InChI=1S/C43H46O11/c1-7-41(5)24-29(52-36(46)26-17-11-8-12-18-26)33-42(6)30(23-31(45)43(33,50)39(41)49)40(3,4)34(51-25(2)44)32(53-37(47)27-19-13-9-14-20-27)35(42)54-38(48)28-21-15-10-16-22-28/h7-22,29-35,45,50H,1,23-24H2,2-6H3/t29-,30+,31-,32+,33-,34-,35+,41+,42+,43+/m1/s1
InChI key： OAKRBYIIPMGIQM-VKAHMXRHSA-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](C[C@](C)(C=C)C3=O)OC(=O)c2ccccc2)C1(C)C
Systematic name  (3)：
  • (13R)-1α,2α,11α-トリス(ベンゾイルオキシ)-3α-アセトキシ-7α,8-ジヒドロキシピマラ-15-エン-14-オン
  • (2S,3S,4R,4aS,4bS,5R,7R,8aR,9R,10aS)-2-(アセチルオキシ)-4,5-ビス(ベンゾイルオキシ)-7-エテニル-8a,9-ジヒドロキシ-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)-4,5-bis(benzoyloxy)-7-ethenyl-8a,9-dihydroxy-1,1,4a,7-tetramethyl-8-oxo-tetradecahydrophenanthren-3-yl benzoate
Other name (3)：
  • (13R)-1α,2α,11α-Tris(benzoyloxy)-3α-acetoxy-7α,8-dihydroxypimara-15-ene-14-one
  • オルトシホールF
  • Orthosiphol F
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