Chem
J-GLOBAL ID：201207004844883596   Nikkaji number：J3.029.158A

21α-Hydroperoxytaraxerylacetate

21α-ヒドロペルオキシ酢酸タラキサステリル
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： C32H52O4
Molecular formula furigana： C32-H52-O4
Molecular weight： 500.764
InChI： InChI=1S/C32H52O4/c1-19-20(2)27-22-10-11-25-30(7)14-13-26(35-21(3)33)28(4,5)24(30)12-15-32(25,9)31(22,8)17-16-29(27,6)18-23(19)36-34/h20,22-27,34H,1,10-18H2,2-9H3/t20-,22-,23-,24+,25-,26+,27-,29+,30+,31-,32-/m1/s1
InChI key： AWPZOHYJIUEPGA-YTZXZYHZSA-N
SMILES： C[C@H]1[C@@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)C[C@@H](OO)C1=C
Systematic name  (3)：
  • (18α,19α)-21α-(ヒドロペルオキシ)-5α-ウルサ-20(30)-エン-3β-オールアセタート
  • (3S,4aR,6aR,6bR,8aS,10R,12S,12aR,12bR,14aR,14bR)-10-ヒドロペルオキシ-4,4,6a,6b,8a,12,14b-ヘプタメチル-11-メチリデン-ドコサヒドロピセン-3-イル アセタート
  • (3S,4aR,6aR,6bR,8aS,10R,12S,12aR,12bR,14aR,14bR)-10-hydroperoxy-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-docosahydropicen-3-yl acetate
Other name (3)：
  • (18α,19α)-21α-(Hydroperoxy)-5α-urs-20(30)-ene-3β-ol acetate
  • 21α-ヒドロペルオキシ酢酸タラキサステリル
  • 21α-Hydroperoxytaraxerylacetate
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