Chem
J-GLOBAL ID：200907071128396874   Nikkaji number：J1.378.465E

Betulonic aldehyde

ベツロンアルデヒド
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： C30H46O2
Molecular formula furigana： C30-H46-O2
Molecular weight： 438.696
InChI： InChI=1S/C30H46O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h18,20-23,25H,1,8-17H2,2-7H3/t20-,21+,22-,23+,25+,27-,28+,29+,30+/m0/s1
InChI key： MHAVMNJPXLZEIG-CNRMHUMKSA-N
SMILES： CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C=O
Systematic name  (5)：
  • ルパ-20(29)-エン-3,28-ジオン
  • 3-オキソルパ-20(29)-エン-28-アール
  • ルパ-20(30)-エン-3,28-ジオン
  • (1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-ペンタメチル-9-オキソ-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-カルバルデヒド
  • (1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carbaldehyde
Other name (7)：
  • Lupa-20(29)-ene-3,28-dione
  • 3-Oxolupa-20(29)-ene-28-al
  • ベツロンアルデヒド
  • Betulonic aldehyde
  • ルパ-28-アール-20(29)-エン-3-オン
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