Chem
J-GLOBAL ID：200907077920841794   Nikkaji number：J54.419A

Neosolaniol

ネオソラニオール
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： C19H26O8
Molecular formula furigana： C19-H26-O8
Molecular weight： 382.409
InChI： InChI=1S/C19H26O8/c1-9-5-13-18(6-12(9)22,7-24-10(2)20)17(4)15(26-11(3)21)14(23)16(27-13)19(17)8-25-19/h5,12-16,22-23H,6-8H2,1-4H3/t12-,13+,14+,15+,16+,17+,18+,19-/m0/s1
InChI key： TVZHDVCTOCZDNE-WVJYZQHISA-N
SMILES： CC(=O)OC[C@]12C[C@H](O)C(=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(=O)C)[C@@]2(C)[C@@]21CO2)C
Systematic name  (3)：
  • 12,13-エポキシトリコテカ-9-エン-3α,4β,8α,15-テトラオール4,15-ジアセタート
  • [(1'S,2S,2'R,4'S,7'R,9'R,10'R,11'S)-11'-(アセチルオキシ)-4',10'-ジヒドロキシ-1',5'-ジメチル-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-2'-イル]メチル アセタート
  • [(1'S,2S,2'R,4'S,7'R,9'R,10'R,11'S)-11'-(acetyloxy)-4',10'-dihydroxy-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.02,7]dodecan]-5'-en-2'-yl]methyl acetate
Other name (11)：
  • ネオソラニオール
  • Neosolaniol
  • ソラニオール【セスキテルペン】
  • Solaniol【sesquiterpene】
  • 12,13-Epoxytrichothec-9-ene-3α,4β,8α,15-tetrol 4,15-diacetate
Show all
CAS registry number： 36519-25-2
Regulation number (1)：
  • YD0080000
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