Chem
J-GLOBAL ID：200907011762265488   Nikkaji number：J16.163B

Canophyllol

カノフィロール
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： C30H50O2
Molecular formula furigana： C30-H50-O2
Molecular weight： 442.728
InChI： InChI=1S/C30H50O2/c1-20-21(32)8-9-22-26(20,4)11-10-23-27(22,5)13-14-29(7)24-18-25(2,3)12-16-30(24,19-31)17-15-28(23,29)6/h20,22-24,31H,8-19H2,1-7H3/t20-,22+,23-,24-,26+,27-,28+,29-,30+/m0/s1
InChI key： YPWQSKQSNNTXOL-TWWFCBCGSA-N
SMILES： C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(CO)CC[C@]12C
Systematic name  (3)：
  • 28-ヒドロキシ-D:A-フリードオレアナン-3-オン
  • (4R,4aS,6aS,6bR,8aS,12aS,12bS,14aS,14bS)-8a-(ヒドロキシメチル)-4,4a,6b,11,11,12b,14a-ヘプタメチル-ドコサヒドロピセン-3-オン
  • (4R,4aS,6aS,6bR,8aS,12aS,12bS,14aS,14bS)-8a-(hydroxymethyl)-4,4a,6b,11,11,12b,14a-heptamethyl-docosahydropicen-3-one
Other name (3)：
  • カノフィロール
  • Canophyllol
  • 28-Hydroxy-D:A-friedooleanan-3-one
CAS registry number： 14440-41-6
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