Chem
J-GLOBAL ID：200907095581336226   Nikkaji number：J2.012.496B

α-Amyrin 3-O-dimorphecolate

α-アミリン3-O-ジモルフェコラート
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： C48H80O3
Molecular formula furigana： C48-H80-O3
Molecular weight： 705.165
InChI： InChI=1S/C48H80O3/c1-10-11-12-13-14-16-19-22-37(49)23-20-17-15-18-21-24-42(50)51-41-29-31-46(7)39(44(41,4)5)28-32-48(9)40(46)26-25-38-43-36(3)35(2)27-30-45(43,6)33-34-47(38,48)8/h14,16,19,22,25,35-37,39-41,43,49H,10-13,15,17-18,20-21,23-24,26-34H2,1-9H3/b16-14-,22-19+/t35-,36+,37?,39+,40-,41+,43+,45-,46+,47-,48-/m1/s1
InChI key： GAEZFFOLKVYDSO-IAODEYMDSA-N
SMILES： CCCCC/C=C\C=C\C(O)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  (3)：
  • 3β-[[(10E,12Z)-9-ヒドロキシ-1-オキソ-10,12-オクタデカジエニル]オキシ]ウルサ-12-エン
  • (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 (10E,12Z)-9-ヒドロキシオクタデカ-10,12-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 (10E,12Z)-9-hydroxyoctadeca-10,12-dienoate
Other name (3)：
  • 3β-[[(10E,12Z)-9-Hydroxy-1-oxo-10,12-octadecadienyl]oxy]urs-12-ene
  • α-Amyrin 3-O-dimorphecolate
  • α-アミリン3-O-ジモルフェコラート
Thsaurus map：
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