Chem
J-GLOBAL ID：201207060908335811   Nikkaji number：J3.029.156E

φ-Taraxasteryl acetate

酢酸φ-タラキサステリル
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： C32H52O2
Molecular formula furigana： C32-H52-O2
Molecular weight： 468.766
InChI： InChI=1S/C32H52O2/c1-20-12-15-29(6)18-19-31(8)23(27(29)21(20)2)10-11-25-30(7)16-14-26(34-22(3)33)28(4,5)24(30)13-17-32(25,31)9/h12,15,20-21,23-27H,10-11,13-14,16-19H2,1-9H3/t20-,21-,23-,24+,25-,26+,27-,29-,30+,31-,32-/m1/s1
InChI key： RIDJSNUZLSTKKB-DWTGHIQGSA-N
SMILES： C[C@@H]1C=C[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C)C(C)(C)[C@@H]5CC[C@@]34C)[C@H]2[C@@H]1C
Systematic name  (3)：
  • (18α,19α)-5α-ウルサ-21-エン-3β-オールアセタート
  • (3S,4aR,6aR,6bR,8aS,11R,12R,12aR,12bR,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,11,12,12a,12b,13,14,14a,14b-イコサヒドロピセン-3-イル アセタート
  • (3S,4aR,6aR,6bR,8aS,11R,12R,12aR,12bR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,11,12,12a,12b,13,14,14a,14b-icosahydropicen-3-yl acetate
Other name (3)：
  • (18α,19α)-5α-Urs-21-ene-3β-ol acetate
  • 酢酸φ-タラキサステリル
  • φ-Taraxasteryl acetate
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