Chem
J-GLOBAL ID：200907081426435241   Nikkaji number：J89.151G

Scirpene

シルペン
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： C15H22O2
Molecular formula furigana： C15-H22-O2
Molecular weight： 234.339
InChI： InChI=1S/C15H22O2/c1-10-4-6-13(2)12(8-10)17-11-5-7-14(13,3)15(11)9-16-15/h8,11-12H,4-7,9H2,1-3H3/t11-,12-,13+,14-,15+/m1/s1
InChI key： LZAJKCZTKKKZNT-QMIVOQANSA-N
SMILES： CC1=C[C@H]2O[C@@H]3CC[C@@](C)([C@@]43CO4)[C@@]2(C)CC1
Systematic name  (4)：
  • 12,13-エポキシトリコテカ-9-エン
  • 12,13-エポキシトリコテカン-9-エン
  • (1'R,2S,2'R,7'R,9'R)-1',2',5'-トリメチル-8'-オキサスピロ[オキシラン-2,12'-トリシクロ[7.2.1.02,7]ドデカン]-5'-エン
  • (1'R,2S,2'R,7'R,9'R)-1',2',5'-trimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.02,7]dodecan]-5'-ene
Other name (5)：
  • 12,13-Epoxytrichothec-9-ene
  • 12,13-Epoxytrichothecane-9-ene
  • シルペン
  • Scirpene
  • 12,13-エポキシトリコテック-9-エン
CAS registry number： 37133-74-7
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