Chem
J-GLOBAL ID：200907067839061371   Nikkaji number：J2.012.497K

Uvaol 3-O-linoleate

ウバオール3-O-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： C48H80O3
Molecular formula furigana： C48-H80-O3
Molecular weight： 705.165
InChI： InChI=1S/C48H80O3/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-42(50)51-41-29-30-45(6)39(44(41,4)5)28-31-47(8)40(45)26-25-38-43-37(3)36(2)27-32-48(43,35-49)34-33-46(38,47)7/h14-17,25,36-37,39-41,43,49H,9-13,18-24,26-35H2,1-8H3/b15-14-,17-16-/t36-,37+,39+,40-,41+,43+,45+,46-,47-,48-/m1/s1
InChI key： VQLWUTUSDSASRY-FSFNBQRTSA-N
SMILES： CCCCCC/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(CO)CC[C@@]32C)C1(C)C
Systematic name  (3)：
  • 3β-[[(9Z,11Z)-1-オキソ-9,11-オクタデカジエン-1-イル]オキシ]ウルサ-12-エン-28-オール
  • (3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-(ヒドロキシメチル)-4,4,6a,6b,11,12,14b-ヘプタメチル-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,11Z)-オクタデカ-9,11-ジエノアート
  • (3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl (9Z,11Z)-octadeca-9,11-dienoate
Other name (3)：
  • 3β-[[(9Z,11Z)-1-Oxo-9,11-octadecadiene-1-yl]oxy]urs-12-ene-28-ol
  • Uvaol 3-O-linoleate
  • ウバオール3-O-リノレアート
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