Chem
J-GLOBAL ID:200907027251926536   Nikkaji number:J330.737I

3β-(Docosanoyloxy)olean-12-ene

3β-(ドコサノイルオキシ)オレアナ-12-エン
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: C52H92O2
Molecular formula furigana: C52-H92-O2
Molecular weight: 749.306
InChI: InChI=1S/C52H92O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-46(53)54-45-33-34-50(7)43(48(45,4)5)32-35-52(9)44(50)31-30-41-42-40-47(2,3)36-37-49(42,6)38-39-51(41,52)8/h30,42-45H,10-29,31-40H2,1-9H3/t42-,43-,44+,45-,49+,50-,51+,52+/m0/s1
InChI key: XDXBAJFXCOBIAA-SXOOBHJASA-N
SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@@]32C)C1(C)C
Systematic name  (3):
  • 3β-(ドコサノイルオキシ)オレアナ-12-エン
  • (3S,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-オクタメチル-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-イコサヒドロピセン-3-イル ドコサノアート
  • (3S,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl docosanoate
Other name (1):
  • 3β-(Docosanoyloxy)olean-12-ene
Thsaurus map:

Return to Previous Page