Chem
J-GLOBAL ID：201207076797756042   Nikkaji number：J3.029.155G

Ptiloepoxyl acetate

酢酸プチロエポキシル
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： C32H50O3
Molecular formula furigana： C32-H50-O3
Molecular weight： 482.749
InChI： InChI=1S/C32H50O3/c1-18-19(2)26-27(35-26)30(7)16-17-31(8)21(25(18)30)10-11-23-29(6)14-13-24(34-20(3)33)28(4,5)22(29)12-15-32(23,31)9/h18,21-27H,2,10-17H2,1,3-9H3/t18-,21-,22+,23-,24+,25-,26+,27+,29+,30-,31-,32-/m1/s1
InChI key： AKBJMJWDEAJRIS-OCMOBYQZSA-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@H]2O[C@H]2C1=C
Systematic name  (3)：
  • (18α,19α)-21α,22α-エポキシ-5α-ウルサ-20(30)-エン-3β-オールアセタート
  • (1aR,1bR,3aR,3bR,5aR,7S,9aR,9bR,11aR,11bR,12S,13aS)-1b,3a,3b,6,6,9a,12-ヘプタメチル-13-メチリデン-ドコサヒドロピセノ[3,4-b]オキシレン-7-イル アセタート
  • (1aR,1bR,3aR,3bR,5aR,7S,9aR,9bR,11aR,11bR,12S,13aS)-1b,3a,3b,6,6,9a,12-heptamethyl-13-methylidene-docosahydropiceno[3,4-b]oxiren-7-yl acetate
Other name (3)：
  • (18α,19α)-21α,22α-Epoxy-5α-urs-20(30)-ene-3β-ol acetate
  • 酢酸プチロエポキシル
  • Ptiloepoxyl acetate
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