Chem
J-GLOBAL ID：200907013268016320   Nikkaji number：J1.299.634I

3β-Hydroxy-11α-hydroperoxyurs-12-ene

3β-ヒドロキシ-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： C30H50O3
Molecular formula furigana： C30-H50-O3
Molecular weight： 458.727
InChI： InChI=1S/C30H50O3/c1-18-9-12-27(5)15-16-29(7)20(24(27)19(18)2)17-21(33-32)25-28(6)13-11-23(31)26(3,4)22(28)10-14-30(25,29)8/h17-19,21-25,31-32H,9-16H2,1-8H3/t18-,19+,21-,22+,23+,24+,25-,27-,28+,29-,30-/m1/s1
InChI key： KXDKZPWSWPNPHQ-WUOXACOKSA-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](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C
Systematic name  (3)：
  • 3β-ヒドロキシ-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-オール
  • (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-ol
Other name (1)：
  • 3β-Hydroxy-11α-hydroperoxyurs-12-ene
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