Chem
J-GLOBAL ID：200907008845434108
Nikkaji number：J1.374.729F
Orthosiphol J
オルトシホールJ
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
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
Molecular formula： C33H40O11
Molecular formula furigana： C33-H40-O11
Molecular weight： 612.672
InChI：
InChI=1S/C33H40O11/c1-9-31(7)16-21(37)25-32(8)22(15-23(41-17(2)34)33(25,40)29(31)39)30(5,6)26(43-19(4)36)24(42-18(3)35)27(32)44-28(38)20-13-11-10-12-14-20/h9-14,22-27,40H,1,15-16H2,2-8H3/t22-,23+,24-,25+,26+,27-,31+,32-,33-/m0/s1
InChI key：
HOFNFIRZXJMXPW-ILZPBESMSA-N
SMILES：
CC(=O)O[C@@H]1C[C@H]2C(C)(C)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)c3ccccc3)[C@]2(C)[C@H]2C(=O)C[C@@](C)(C=C)C(=O)[C@]12O
Systematic name (4)：
- (13S)-1α-(ベンゾイルオキシ)-2α,3α,7α-トリアセトキシ-8-ヒドロキシピマラ-15-エン-11,14-ジオン
- (13S)-1α-(ベンゾイルオキシ)-2α,3α,7α-トリアセトキシ-8β-ヒドロキシピマラ-15-エン-11,14-ジオン
- (2S,3S,4R,4aS,4bR,7S,8aR,9R,10aS)-2,3,9-トリス(アセチルオキシ)-7-エテニル-8a-ヒドロキシ-1,1,4a,7-テトラメチル-5,8-ジオキソ-テトラデカヒドロフェナントレン-4-イル ベンゾアート
- (2S,3S,4R,4aS,4bR,7S,8aR,9R,10aS)-2,3,9-tris(acetyloxy)-7-ethenyl-8a-hydroxy-1,1,4a,7-tetramethyl-5,8-dioxo-tetradecahydrophenanthren-4-yl benzoate
- (13S)-1α-(Benzoyloxy)-2α,3α,7α-triacetoxy-8-hydroxypimara-15-ene-11,14-dione
- オルトシホールJ
- Orthosiphol J
- (13S)-1α-(Benzoyloxy)-2α,3α,7α-triacetoxy-8β-hydroxypimara-15-ene-11,14-dione
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