Chem
J-GLOBAL ID：202007012838653592   Nikkaji number：J3.755.537A

(29S)-7,29-O-Diacetyltoosendanin

(29S)-7,29-O-ジアセチルトオセンダニン
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： C34H42O13
Molecular formula furigana： C34-H42-O13
Molecular weight： 658.697
InChI： InChI=1S/C34H42O13/c1-15(35)43-23-12-22(39)33-14-42-29(46-18(4)38)30(23,5)21(33)11-24(44-16(2)36)32(7)27(33)26(40)28(45-17(3)37)31(6)20(19-8-9-41-13-19)10-25-34(31,32)47-25/h8-9,13,20-25,27-29,39H,10-12,14H2,1-7H3/t20-,21-,22-,23+,24+,25+,27-,28-,29?,30+,31+,32+,33+,34+/m0/s1
InChI key： AIACSNCTJMRROB-JMVMDIAQSA-N
SMILES： [C@@H]1(C[C@H]([C@]2([C@H]3[C@]1([C@@H]1[C@@]([C@@H](C3)OC(=O)C)([C@]34[C@@]([C@H](C1=O)OC(=O)C)([C@@H](C[C@H]3O4)c1cocc1)C)C)COC2OC(=O)C)C)OC(=O)C)O
Systematic name  (3)：
  • (13α,25S)-3α,7α,12α,25-テトラアセトキシ-1α-ヒドロキシ-14β,15β:19,25-ジエポキシメリアカン-11-オン
  • (1S,2R,4R,5R,6S,8R,10S,11S,12R,14R,15R,19S,21R)-12,16,21-トリス(アセチルオキシ)-6-(フラン-3-イル)-19-ヒドロキシ-5,11,15-トリメチル-3-オキソ-9,17-ジオキサヘキサシクロ[13.3.3.01,14.02,11.05,10.08,10]ヘンイコサン-4-イルアセタート
  • (1S,2R,4R,5R,6S,8R,10S,11S,12R,14R,15R,19S,21R)-12,16,21-tris(acetyloxy)-6-(furan-3-yl)-19-hydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-4-yl acetate
Other name (2)：
  • (29S)-7,29-O-ジアセチルトオセンダニン
  • (29S)-7,29-O-Diacetyltoosendanin
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