Chem
J-GLOBAL ID:200907018328748599   Nikkaji number:J2.182.419D

3-Bromocholesta-5-ene

3-コレステリルブロミド
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: C27H45Br
Molecular formula furigana: C27-H45-BR
Molecular weight: 449.561
InChI: InChI=1S/C27H45Br/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3/t19-,21?,22+,23-,24+,25+,26+,27-/m1/s1
InChI key: WDRGNJZPWVRVSN-FNOPAARDSA-N
SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(Br)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (4):
  • 3-ブロモコレスタ-5-エン
  • 3-コレステリルブロミド
  • (1R,3aS,3bS,9aR,9bS,11aR)-7-ブロモ-9a,11a-ジメチル-1-[(2R)-6-メチルヘプタン-2-イル]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン
  • (1R,3aS,3bS,9aR,9bS,11aR)-7-bromo-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene
Other name (2):
  • 3-Bromocholesta-5-ene
  • 3-Cholesteryl bromide
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