Chem
J-GLOBAL ID：200907045264086543   Nikkaji number：J671.021B

Lupeol linoleate

ルペオールリノレアート
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(36(2)3)28-31-45(43,6)34-35-47(38,48)8/h14-15,17-18,37-41,43H,2,10-13,16,19-35H2,1,3-9H3/b15-14-,18-17-/t37-,38+,39-,40+,41-,43+,45+,46-,47+,48+/m0/s1
InChI key： WBROFWPLLSCFBK-LUZWWJBKSA-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[C@@H]2[C@H]4[C@@H](CC[C@]4(C)CC[C@@]32C)C(=C)C)C1(C)C
Systematic name  (4)：
  • リノール酸ルパ-20(29)-エン-3β-イル
  • ルパ-20(29)-エン-3β-オールリノラート
  • (1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-ヘキサメチル-1-(プロパ-1-エン-2-イル)-イコサヒドロ-1H-シクロペンタ[a]クリセン-9-イル (9Z,12Z)-オクタデカ-9,12-ジエノアート
  • (1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysen-9-yl (9Z,12Z)-octadeca-9,12-dienoate
Other name (4)：
  • ルペオールリノレアート
  • Lupeol linoleate
  • Lup-20(29)-en-3β-ol linolate
  • Linoleic acid lupa-20(29)-ene-3β-yl ester
Thsaurus map：
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