Chem
J-GLOBAL ID：200907091743084417   Nikkaji number：J717.052A

Ixerenylacetate

イクセレニルアセタート
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： C30H50O
Molecular formula furigana： C30-H50-O
Molecular weight： 426.729
InChI： InChI=1S/C30H50O/c1-19-11-14-26(2,3)22-17-20-9-10-24-28(6)15-13-25(31)27(4,5)23(28)12-16-29(24,7)30(20,8)18-21(19)22/h20-25,31H,1,9-18H2,2-8H3/t20-,21-,22-,23+,24-,25+,28+,29-,30-/m1/s1
InChI key： WZNULLZQWFAQJO-PNZOOJBUSA-N
SMILES： CC1(C)CCC(=C)[C@H]2C[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)C[C@@H]12
Systematic name  (3)：
  • (2S,4bα,6aβ,7aα,11aα,14aα)-1,1,4aβ,8,8,12aα,12bβ-ヘプタメチル-11-メチレンドコサヒドロベンゾ[b]クリセン-2β-オール
  • (2S,4aR,4bR,6aR,7aR,11aS,12aR,12bR,14aR)-1,1,4a,8,8,12a,12b-ヘプタメチル-11-メチリデン-ドコサヒドロシクロヘキサ[b]クリセン-2-オール
  • (2S,4aR,4bR,6aR,7aR,11aS,12aR,12bR,14aR)-1,1,4a,8,8,12a,12b-heptamethyl-11-methylidene-docosahydrocyclohexa[b]chrysen-2-ol
Other name (3)：
  • イクセレニルアセタート
  • Ixerenylacetate
  • (2S,4bα,6aβ,7aα,11aα,14aα)-1,1,4aβ,8,8,12aα,12bβ-Heptamethyl-11-methylenedocosahydrobenzo[b]chrysen-2β-ol
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