Chem
J-GLOBAL ID：200907065197989992   Nikkaji number：J1.321.017I

Peruvianursenyl acetate A

ペルビアヌルセニルアセタートA
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： C33H52O2
Molecular formula furigana： C33-H52-O2
Molecular weight： 480.777
InChI： InChI=1S/C33H52O2/c1-10-30(6)25-14-18-33(9)26(31(25,7)17-15-27(30)35-23(4)34)12-11-24-28-22(3)21(2)13-16-29(28,5)19-20-32(24,33)8/h10-11,21-22,25-28H,1,12-20H2,2-9H3/t21-,22+,25+,26-,27+,28-,29-,30+,31+,32-,33-/m1/s1
InChI key： UNUJHSZZVXWKBY-LDFWIYNISA-N
SMILES： C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C)[C@@](C)(C=C)[C@@H]5CC[C@@]34C)[C@H]2[C@H]1C
Systematic name  (3)：
  • (18α)-23-メチレンウルサ-12-エン-3β-オールアセタート
  • (3S,4S,4aR,6aR,6bS,8aR,11R,12S,12aS,14aR,14bR)-4-エテニル-4,6a,6b,8a,11,12,14b-ヘプタメチル-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-イコサヒドロピセン-3-イル アセタート
  • (3S,4S,4aR,6aR,6bS,8aR,11R,12S,12aS,14aR,14bR)-4-ethenyl-4,6a,6b,8a,11,12,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl acetate
Other name (3)：
  • (18α)-23-Methyleneurs-12-ene-3β-ol acetate
  • ペルビアヌルセニルアセタートA
  • Peruvianursenyl acetate A
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