Chem
J-GLOBAL ID：200907027964556542   Nikkaji number：J1.321.019E

Isolupenyl acetate

イソルペニルアセタート
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： C32H52O2
Molecular formula furigana： C32-H52-O2
Molecular weight： 468.766
InChI： InChI=1S/C32H52O2/c1-20(2)22-12-15-29(6)18-19-31(8)23(27(22)29)10-11-25-30(7)16-14-26(34-21(3)33)28(4,5)24(30)13-17-32(25,31)9/h22-27H,1,10-19H2,2-9H3/t22-,23+,24-,25+,26+,27-,29+,30-,31+,32+/m0/s1
InChI key： ODSSDTBFHAYYMD-UHFSAZSKSA-N
SMILES： CC(=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  (3)：
  • (18β)-ルパ-20(29)-エン-3α-オールアセタート
  • (1R,3aR,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bS)-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 アセタート
  • (1R,3aR,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bS)-3a,5a,5b,8,8,11a-hexamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysen-9-yl acetate
Other name (3)：
  • (18β)-Lupa-20(29)-ene-3α-ol acetate
  • イソルペニルアセタート
  • Isolupenyl acetate
Thsaurus map：
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