Chem
J-GLOBAL ID：201107099047161490   Nikkaji number：J2.941.914K

Tarolupenyl acetate

酢酸タロルペニル
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： C32H51O[O-]
Molecular formula furigana： C32-H51-O2
Molecular weight： 467.759
InChI： InChI=1S/C32H52O2/c1-20(2)22-12-14-29(5)17-18-31(7)23(27(22)29)9-10-25-30(6)15-11-21(19-26(33)34)28(3,4)24(30)13-16-32(25,31)8/h12,20-21,23-25,27H,9-11,13-19H2,1-8H3,(H,33,34)/p-1/t21-,23-,24+,25-,27-,29-,30+,31-,32-/m1/s1
InChI key： KVOCPHUYVABKBA-GCTCKIHQSA-M
SMILES： CC(C)C1=CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](CC(=O)[O-])C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
Systematic name  (3)：
  • ルパ-19(21)-エン-3β-イルアセタート
  • 2-[(3aS,5aR,5bR,7aS,9R,11aS,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-ヘキサメチル-1-(プロパン-2-イル)-3H,3aH,4H,5H,5aH,5bH,6H,7H,7aH,8H,9H,10H,11H,11aH,11bH,12H,13H,13aH,13bH-シクロペンタ[a]クリセン-9-イル]アセタート
  • 2-[(3aS,5aR,5bR,7aS,9R,11aS,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-(propan-2-yl)-3H,3aH,4H,5H,5aH,5bH,6H,7H,7aH,8H,9H,10H,11H,11aH,11bH,12H,13H,13aH,13bH-cyclopenta[a]chrysen-9-yl]acetate
Other name (3)：
  • Lupa-19(21)-ene-3β-ylacetate
  • 酢酸タロルペニル
  • Tarolupenyl acetate
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