Chem
J-GLOBAL ID：200907019398668785   Nikkaji number：J1.330.050J

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

3-(ヒドロキシイミノ)ルパ-20(29)-エン-28-酸アリル
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： C33H51NO3
Molecular formula furigana： C33-H51-N-O3
Molecular weight： 509.775
InChI： InChI=1S/C33H51NO3/c1-9-20-37-28(35)33-17-12-22(21(2)3)27(33)23-10-11-25-30(6)15-14-26(34-36)29(4,5)24(30)13-16-32(25,8)31(23,7)18-19-33/h9,22-25,27,36H,1-2,10-20H2,3-8H3/t22-,23+,24-,25+,27+,30-,31+,32+,33-/m0/s1
InChI key： HUTCFZGJJRYYTL-KZDAZGORSA-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=C
Systematic name  (3)：
  • 3-(ヒドロキシイミノ)ルパ-20(29)-エン-28-酸アリル
  • プロパ-2-エン-1-イル (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
  • prop-2-en-1-yl (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 allyl ester
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