Chem
J-GLOBAL ID：200907086400315720   Nikkaji number：J1.864.771K

(5Z,8Z,11Z,14Z)-1-(3β-Cholesterylperoxy)-5,8,11,14-icosatetrene-1-one

(5Z,8Z,11Z,14Z)-1-(3β-コレステリルペルオキシ)-5,8,11,14-イコサテトラエン-1-オン
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： C47H76O3
Molecular formula furigana： C47-H76-O3
Molecular weight： 689.122
InChI： InChI=1S/C47H76O3/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-45(48)50-49-40-32-34-46(5)39(36-40)28-29-41-43-31-30-42(38(4)26-24-25-37(2)3)47(43,6)35-33-44(41)46/h11-12,14-15,17-18,20-21,28,37-38,40-44H,7-10,13,16,19,22-27,29-36H2,1-6H3/b12-11-,15-14-,18-17-,21-20-/t38-,40+,41+,42-,43+,44+,46+,47-/m1/s1
InChI key： GWAYKVGUXIOYNY-BEDFLICRSA-N
SMILES： CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OO[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
Systematic name  (3)：
  • (5Z,8Z,11Z,14Z)-1-(3β-コレステリルペルオキシ)-5,8,11,14-イコサテトラエン-1-オン
  • (1R,3aS,3bS,7S,9aR,9bS,11aR)-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-7-イル (5Z,8Z,11Z,14Z)-イコサ-5,8,11,14-テトラエンペルオキソアート
  • (1R,3aS,3bS,7S,9aR,9bS,11aR)-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]phenanthren-7-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraeneperoxoate
Other name (1)：
  • (5Z,8Z,11Z,14Z)-1-(3β-Cholesterylperoxy)-5,8,11,14-icosatetrene-1-one
Thsaurus map：
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