Chem
J-GLOBAL ID：200907030856802082   Nikkaji number：J1.360.201H

(1S,3S,5S,6S,8R,11S)-6-Bromo-5-chloro-9-(bromomethyl)-5,12,12-trimethyl-2-oxatricyclo[6.3.1.03,8]dodeca-9-ene-1,11-diol

(1R,3S,4S,6S,8S,9S)-3-ブロモ-11-(ブロモメチル)-4-クロロ-4,12,12-トリメチル-7-オキサトリシクロ[6.3.1.01,6]ドデカ-10-エン-8,9-ジオール
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： C15H21Br2ClO3
Molecular formula furigana： C15-H21-BR2-CL-O3
Molecular weight： 444.590
InChI： InChI=1S/C15H21Br2ClO3/c1-12(2)14-5-9(17)13(3,18)6-11(14)21-15(12,20)10(19)4-8(14)7-16/h4,9-11,19-20H,5-7H2,1-3H3/t9-,10-,11-,13-,14+,15+/m0/s1
InChI key： JMFKVFIBQLOXQD-JUNRBMTOSA-N
SMILES： CC1(C)[C@]2(O)O[C@H]3C[C@](C)(Cl)[C@@H](Br)C[C@]13C(=C[C@@H]2O)CBr
Systematic name  (3)：
  • (1S,3S,5S,6S,8R,11S)-6-ブロモ-5-クロロ-9-(ブロモメチル)-5,12,12-トリメチル-2-オキサトリシクロ[6.3.1.03,8]ドデカ-9-エン-1,11-ジオール
  • (1R,3S,4S,6S,8S,9S)-3-ブロモ-11-(ブロモメチル)-4-クロロ-4,12,12-トリメチル-7-オキサトリシクロ[6.3.1.01,6]ドデカ-10-エン-8,9-ジオール
  • (1R,3S,4S,6S,8S,9S)-3-bromo-11-(bromomethyl)-4-chloro-4,12,12-trimethyl-7-oxatricyclo[6.3.1.01,6]dodec-10-ene-8,9-diol
Other name (1)：
  • (1S,3S,5S,6S,8R,11S)-6-Bromo-5-chloro-9-(bromomethyl)-5,12,12-trimethyl-2-oxatricyclo[6.3.1.03,8]dodeca-9-ene-1,11-diol
Thsaurus map：
Thesaurus Map

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