Chem
J-GLOBAL ID：200907064690546084   Nikkaji number：J1.330.049F

3-(Hydroxyimino)lupa-20(29)-ene-28-oic acid phenacyl ester

3-(ヒドロキシイミノ)ルパ-20(29)-エン-28-酸フェナシル
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： C38H53NO4
Molecular formula furigana： C38-H53-N-O4
Molecular weight： 587.845
InChI： InChI=1S/C38H53NO4/c1-24(2)26-15-20-38(33(41)43-23-28(40)25-11-9-8-10-12-25)22-21-36(6)27(32(26)38)13-14-30-35(5)18-17-31(39-42)34(3,4)29(35)16-19-37(30,36)7/h8-12,26-27,29-30,32,42H,1,13-23H2,2-7H3/t26-,27+,29-,30+,32+,35-,36+,37+,38-/m0/s1
InChI key： DBJONDYBQGSGFP-RFZCAMAYSA-N
SMILES： CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=NO)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)OCC(=O)c1ccccc1
Systematic name  (3)：
  • 3-(ヒドロキシイミノ)ルパ-20(29)-エン-28-酸フェナシル
  • 2-オキソ-2-フェニルエチル (1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-9-(ヒドロキシイミノ)-5a,5b,8,8,11a-ペンタメチル-1-(プロパ-1-エン-2-イル)-イコサヒドロ-1H-シクロペンタ[a]クリセン-3a-カルボキシラート
  • 2-oxo-2-phenylethyl (1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-9-(hydroxyimino)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylate
Other name (1)：
  • 3-(Hydroxyimino)lupa-20(29)-ene-28-oic acid phenacyl ester
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