Chem
J-GLOBAL ID：200907094225051903   Nikkaji number：J38.824F

Wallichienene

ワリキエネン
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： C30H48
Molecular formula furigana： C30-H48
Molecular weight： 408.714
InChI： InChI=1S/C30H48/c1-20(2)21-10-11-22-23-12-13-25-28(6)16-9-15-26(3,4)24(28)14-17-30(25,8)29(23,7)19-18-27(21,22)5/h12-13,20-21,24-25H,9-11,14-19H2,1-8H3/t21-,24+,25-,27-,28+,29-,30-/m1/s1
InChI key： UIYGWCYYBGLGBF-ZNABNZNXSA-N
SMILES： CC(C)[C@H]1CCC2=C3C=C[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]12C
Systematic name  (4)：
  • B′:A′-ネオガンマセラ-11,13(18)-ジエン
  • B′:A′-ネオ-5α-ガンマセラ-11,13(18)-ジエン
  • (3R,3aR,5aS,5bR,7aS,11aS,11bR)-3a,5a,5b,8,8,11a-ヘキサメチル-3-(プロパン-2-イル)-1H,2H,3H,3aH,4H,5H,5aH,5bH,6H,7H,7aH,8H,9H,10H,11H,11aH,11bH-シクロペンタ[a]クリセン
  • (3R,3aR,5aS,5bR,7aS,11aS,11bR)-3a,5a,5b,8,8,11a-hexamethyl-3-(propan-2-yl)-1H,2H,3H,3aH,4H,5H,5aH,5bH,6H,7H,7aH,8H,9H,10H,11H,11aH,11bH-cyclopenta[a]chrysene
Other name (6)：
  • ネオホパ-11,13(18)-ジエン
  • Neohopa-11,13(18)-diene
  • Wallichienene
  • ワリキエネン
  • B′:A′-Neogammacera-11,13(18)-diene
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