Chem
J-GLOBAL ID：202007010051409764   Nikkaji number：J3.755.531B

(29S)-29-O-Acetyltoosendanin

(29S)-29-O-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： C32H40O12
Molecular formula furigana： C32-H40-O12
Molecular weight： 616.660
InChI： InChI=1S/C32H40O12/c1-14(33)41-22-11-21(37)31-13-40-27(43-16(3)35)28(22,4)19(31)10-20(36)30(6)25(31)24(38)26(42-15(2)34)29(5)18(17-7-8-39-12-17)9-23-32(29,30)44-23/h7-8,12,18-23,25-27,36-37H,9-11,13H2,1-6H3/t18-,19-,20+,21-,22+,23+,25-,26-,27?,28+,29+,30+,31+,32+/m0/s1
InChI key： JSPJNBZMTOABAW-OBUJPIFGSA-N
SMILES： [C@@H]1(C[C@H]([C@]2([C@H]3[C@]1([C@@H]1[C@@]([C@@H](C3)O)([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,12α,25-トリアセトキシ-1α,7α-ジヒドロキシ-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)-16,21-ビス(アセチルオキシ)-6-(フラン-3-イル)-12,19-ジヒドロキシ-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)-16,21-bis(acetyloxy)-6-(furan-3-yl)-12,19-dihydroxy-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)-29-O-アセチルトオセンダニン
  • (29S)-29-O-Acetyltoosendanin
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