Chem
J-GLOBAL ID：200907081896778196   Nikkaji number：J20.022K

Paracentrone

パラセントロン
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： C31H42O3
Molecular formula furigana： C31-H42-O3
Molecular weight： 462.674
InChI： InChI=1S/C31H42O3/c1-23(13-9-10-14-24(2)17-12-18-26(4)27(5)32)15-11-16-25(3)19-20-29-30(6,7)21-28(33)22-31(29,8)34/h9-19,28,33-34H,21-22H2,1-8H3/b10-9+,15-11+,17-12+,23-13+,24-14+,25-16+,26-18+/t20?,28-,31+/m0/s1
InChI key： DBFXUHLRCRLMIU-CQGPZTBISA-N
SMILES： C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C(=O)C)/C=C/C=C(\C)/C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O
Systematic name  (1)：
  • (3E,5E,7E,9E,11E,13E,15E,17R)-18-[(2R,4S)-2,4-ジヒドロキシ-2,6,6-トリメチルシクロヘキシリデン]-3,7,12,16-テトラメチルオクタデカ-3,5,7,9,11,13,15,17-オクタエン-2-オン
Other name (3)：
  • パラセントロン
  • Paracentrone
  • (3E,5E,7E,9E,11E,13E,15E,17R)-18-[(2R,4S)-2,4-Dihydroxy-2,6,6-trimethylcyclohexylidene]-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15,17-octene-2-one
CAS registry number： 31190-20-2
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