Chem
J-GLOBAL ID：200907076159075881   Nikkaji number：J1.453.225K

Ursolaldehyde

ウルソルアルデヒド
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： C30H48O2
Molecular formula furigana： C30-H48-O2
Molecular weight： 440.712
InChI： InChI=1S/C30H48O2/c1-19-10-15-30(18-31)17-16-28(6)21(25(30)20(19)2)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h8,18-20,22-25,32H,9-17H2,1-7H3/t19-,20+,22+,23-,24+,25+,27+,28-,29-,30-/m1/s1
InChI key： VLFUANNVMXKBPF-ZAPOICBTSA-N
SMILES： C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C=O
Systematic name  (5)：
  • 3β-ヒドロキシウルサ-12-エン-28-アール
  • 3β-ヒドロキシウルサ-12-エン-28-オン
  • 3β-ヒドロキシ-5α-ウルサ-12-エン-28-アール
  • (1S,2R,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-ヒドロキシ-1,2,6a,6b,9,9,12a-ヘプタメチル-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-イコサヒドロピセン-4a-カルバルデヒド
  • (1S,2R,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carbaldehyde
Other name (8)：
  • 3β-Hydroxyurs-12-ene-28-al
  • 3β-Hydroxyurs-12-ene-28-one
  • ウルソールアルデヒド
  • Urson aldehyde
  • Ursolic aldehyde
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