Chem
J-GLOBAL ID：200907052136019104   Nikkaji number：J1.299.632B

3β-Acetoxy-11α-hydroperoxyurs-12-ene

3β-アセトキシ-11α-ヒドロペルオキシウルサ-12-エン
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/c1-19-10-13-29(6)16-17-31(8)22(26(29)20(19)2)18-23(36-34)27-30(7)14-12-25(35-21(3)33)28(4,5)24(30)11-15-32(27,31)9/h18-20,23-27,34H,10-17H2,1-9H3/t19-,20+,23-,24+,25+,26+,27-,29-,30+,31-,32-/m1/s1
InChI key： BDOWVGURUZGRQP-GAZKWHOUSA-N
SMILES： C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=C[C@@H](OO)[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C
Systematic name  (4)：
  • 3β-アセトキシ-11α-ヒドロペルオキシウルサ-12-エン
  • 3β-アセトキシ-11α-(ヒドロペルオキシ)ウルサ-12-エン
  • (3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14R,14aR,14bS)-14-ヒドロペルオキシ-4,4,6a,6b,8a,11,12,14b-オクタメチル-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,4aR,6aR,6bS,8aR,11R,12S,12aR,14R,14aR,14bS)-14-hydroperoxy-4,4,6a,6b,8a,11,12,14b-octamethyl-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 (2)：
  • 3β-Acetoxy-11α-hydroperoxyurs-12-ene
  • 3β-Acetoxy-11α-(hydroperoxy)urs-12-ene
Thsaurus map：
Thesaurus Map

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