Chem
J-GLOBAL ID：200907092361330147   Nikkaji number：J600.284F

α-Amyrin linoleate

α-アミリンリノレアート
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： C48H80O2
Molecular formula furigana： C48-H80-O2
Molecular weight： 689.166
InChI： InChI=1S/C48H80O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-42(49)50-41-30-32-46(7)39(44(41,4)5)29-33-48(9)40(46)27-26-38-43-37(3)36(2)28-31-45(43,6)34-35-47(38,48)8/h14-15,17-18,26,36-37,39-41,43H,10-13,16,19-25,27-35H2,1-9H3/b15-14-,18-17-/t36-,37+,39+,40-,41+,43+,45-,46+,47-,48-/m1/s1
InChI key： WFLXMZSTVQZYRO-SOLHQXLDSA-N
SMILES： CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@@]32C)C1(C)C
Systematic name  (4)：
  • (9Z,12Z)-9,12-オクタデカジエン酸ウルサ-12-エン-3β-イル
  • リノール酸5α-ウルサ-12-エン-3β-イル
  • (3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-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 (9Z,12Z)-オクタデカ-9,12-ジエノアート
  • (3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl (9Z,12Z)-octadeca-9,12-dienoate
Other name (4)：
  • α-アミリンリノレアート
  • α-Amyrin linoleate
  • (9Z,12Z)-9,12-Octadecadienoic acidurs-12-en-3β-yl ester
  • Linoleic acid 5α-urs-12-ene-3β-yl ester
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