Chem
J-GLOBAL ID:200907024481135512   Nikkaji number:J2.411.275F

12,29-Di(deacetyl)-29-(2-methylbutanoyl)azadirachtanin 14,15-epoxide

12,29-ジ(デアセチル)-29-(2-メチルブタノイル)アザジラクタニン14,15-エポキシド
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: C33H44O11
Molecular formula furigana: C33-H44-O11
Molecular weight: 616.704
InChI: InChI=1S/C33H44O11/c1-7-15(2)28(39)42-24-13-32-19(31(6,44-24)22(12-21(32)36)41-16(3)34)11-20(35)30(5)26(32)25(37)27(38)29(4)18(17-8-9-40-14-17)10-23-33(29,30)43-23/h8-9,14-15,18-24,26-27,35-36,38H,7,10-13H2,1-6H3/t15?,18-,19?,20+,21-,22+,23?,24+,26-,27-,29+,30+,31+,32+,33-/m0/s1
InChI key: CBOUHGQARHTIIX-DWIPQFFLSA-N
SMILES: CCC(C)C(=O)O[C@H]1C[C@]23[C@@H](O)C[C@@H](OC(=O)C)[C@](C)(O1)C2C[C@@H](O)[C@]1(C)[C@@H]3C(=O)[C@H](O)[C@@]2(C)[C@@H](CC3O[C@]123)c1ccoc1
Systematic name  (3):
  • (13α,17α,25S)-3α-アセトキシ-14,15:21,23-ジエポキシ-4β,19-(エポキシメタノ)-1α,7α,12α-トリヒドロキシ-4,8-ジメチル-25-(2-メチルブタノイルオキシ)-24-ノルコラ-20,22-ジエン-11-オン
  • (1S,2R,4R,5R,6S,10R,11S,12R,15R,17S,19S,21R)-21-(アセチルオキシ)-6-(フラン-3-イル)-4,12,19-トリヒドロキシ-5,11,15-トリメチル-3-オキソ-9,16-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-17-イル 2-メチルブタノアート
  • (1S,2R,4R,5R,6S,10R,11S,12R,15R,17S,19S,21R)-21-(acetyloxy)-6-(furan-3-yl)-4,12,19-trihydroxy-5,11,15-trimethyl-3-oxo-9,16-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-17-yl 2-methylbutanoate
Other name (3):
  • (13α,17α,25S)-3α-Acetoxy-14,15:21,23-diepoxy-4β,19-(epoxymethano)-1α,7α,12α-trihydroxy-4,8-dimethyl-25-(2-methylbutanoyloxy)-24-norchola-20,22-diene-11-one
  • 12,29-ジ(デアセチル)-29-(2-メチルブタノイル)アザジラクタニン14,15-エポキシド
  • 12,29-Di(deacetyl)-29-(2-methylbutanoyl)azadirachtanin 14,15-epoxide
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