Chem
J-GLOBAL ID：200907066318206253   Nikkaji number：J1.685.969I

α-Amyrin 3-O-coriolate

α-アミリン3-O-コリオラート
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/c1-10-11-19-22-37(49)23-20-17-15-13-12-14-16-18-21-24-42(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/h15,17,20,23,25,35-37,39-41,43,49H,10-14,16,18-19,21-22,24,26-34H2,1-9H3/b17-15-,23-20+/t35-,36+,37?,39+,40-,41+,43+,45-,46+,47-,48-/m1/s1
InChI key： FYHJQTAEHKWQLV-MJVJVHSPSA-N
SMILES： CCCCCC(O)/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,11E)-13-ヒドロキシ-9,11-オクタデカジエン酸ウルサ-12-エン-3β-イル
  • 3β-[[(9Z,11E)-13-ヒドロキシ-1-オキソ-9,11-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 (9Z,11E)-13-ヒドロキシオクタデカ-9,11-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,11E)-13-hydroxyoctadeca-9,11-dienoate
Other name (4)：
  • (9Z,11E)-13-Hydroxy-9,11-octadecadienoic acidurs-12-ene-3β-yl ester
  • 3β-[[(9Z,11E)-13-Hydroxy-1-oxo-9,11-octadecadienyl]oxy]urs-12-ene
  • α-Amyrin 3-O-coriolate
  • α-アミリン3-O-コリオラート
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