Chem
J-GLOBAL ID：200907022490686553   Nikkaji number：J1.330.047J

Betulonic acid oxime

ベツロン酸オキシム
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： C30H47NO3
Molecular formula furigana： C30-H47-N-O3
Molecular weight： 469.710
InChI： InChI=1S/C30H47NO3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31-34)26(3,4)21(27)11-14-29(22,28)7/h19-22,24,34H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1
InChI key： YEKUREUPHOHRBM-SVAFSPIFSA-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)O
Systematic name  (3)：
  • 3-(ヒドロキシイミノ)ルパ-20(29)-エン-28-酸
  • (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-カルボン酸
  • (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-carboxylic acid
Other name (3)：
  • 3-(Hydroxyimino)lupa-20(29)-ene-28-oic acid
  • ベツロン酸オキシム
  • Betulonic acid oxime
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