Chem
J-GLOBAL ID：201807019716744526   Nikkaji number：J3.680.752K

(9R)-[13C20]Cassa-12,15-diene

ent-[13C20]カッサ-12,15-ジエン
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： [13C]20H32
Molecular formula furigana： C20-H32
Molecular weight： 292.323
InChI： InChI=1S/C20H32/c1-6-15-8-10-17-16(14(15)2)9-11-18-19(3,4)12-7-13-20(17,18)5/h6,8,14,16-18H,1,7,9-13H2,2-5H3/t14-,16-,17-,18-,20+/m1/s1/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,13+1,14+1,15+1,16+1,17+1,18+1,19+1,20+1
InChI key： JQPDOKGAOXSRJD-SMCQLBOTSA-N
SMILES： [13CH3][13C@H]1[13C@H]2[13CH2][13CH2][13C@@H]3[13C]([13CH3])([13CH3])[13CH2][13CH2][13CH2][13C@@]3([13CH3])[13C@@H]2[13CH2][13CH]=[13C]1[13CH]=[13CH2]
Systematic name  (3)：
  • (9R)-[13C20]カッサ-12,15-ジエン
  • (4aS,4bR,8S,8aR,10aR)-7-[(1,2-13C2)エテニル]-1,1,4a,8-テトラ(13C)メチル-1,2,3,4,4a,4b,5,8,8a,9,10,10a-ドデカヒドロ(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-13C14)フェナントレン
  • (4aS,4bR,8S,8aR,10aR)-7-[(1,2-13C2)ethenyl]-1,1,4a,8-tetra(13C)methyl-1,2,3,4,4a,4b,5,8,8a,9,10,10a-dodecahydro(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-13C14)phenanthrene
Other name (2)：
  • (9R)-[13C20]Cassa-12,15-diene
  • ent-[13C20]カッサ-12,15-ジエン
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