Chem
J-GLOBAL ID：200907027353988633   Nikkaji number：J1.330.048H

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

3-(ヒドロキシイミノ)ルパ-20(29)-エン-28-酸メチル
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： C31H49NO3
Molecular formula furigana： C31-H49-N-O3
Molecular weight： 483.737
InChI： InChI=1S/C31H49NO3/c1-19(2)20-11-16-31(26(33)35-8)18-17-29(6)21(25(20)31)9-10-23-28(5)14-13-24(32-34)27(3,4)22(28)12-15-30(23,29)7/h20-23,25,34H,1,9-18H2,2-8H3/t20-,21+,22-,23+,25+,28-,29+,30+,31-/m0/s1
InChI key： LDSFBMPNLCLVMM-DSBZJMBESA-N
SMILES： COC(=O)[C@]12CC[C@H]([C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CCC(=NO)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=C)C
Systematic name  (3)：
  • 3-(ヒドロキシイミノ)ルパ-20(29)-エン-28-酸メチル
  • メチル (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
  • methyl (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 methyl ester
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