Chem
J-GLOBAL ID：200907024463828519   Nikkaji number：J15.370B

Pectenolone

ペクテノロン
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： C40H52O3
Molecular formula furigana： C40-H52-O3
Molecular weight： 580.853
InChI： InChI=1S/C40H52O3/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(41)26-39(35,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)38(43)37(42)27-40(36,9)10/h11-20,22,24,34,37,41-42H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,24-22+,28-15+,29-16+,30-19+,31-20+/t34-,37+/m1/s1
InChI key： ANEICJWUPVGZBQ-HEBVJZCOSA-N
SMILES： C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C#CC1=C(C)C[C@@H](O)CC1(C)C)/C=C/C=C(\C)/C=C/C1=C(C)C(=O)[C@@H](O)CC1(C)C
Systematic name  (3)：
  • (3S,3′R)-7′,8′-ジデヒドロ-3,3′-ジヒドロキシ-β,β-カロテン-4-オン
  • (6S)-6-ヒドロキシ-3-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[(4R)-4-ヒドロキシ-2,6,6-トリメチルシクロヘキサ-1-エン-1-イル]-3,7,12,16-テトラメチルオクタデカ-1,3,5,7,9,11,13,15-オクタエン-17-イン-1-イル]-2,4,4-トリメチルシクロヘキサ-2-エン-1-オン
  • (6S)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15-octaen-17-yn-1-yl]-2,4,4-trimethylcyclohex-2-en-1-one
Other name (7)：
  • ペクテノロン
  • Pectenolone
  • (3S,3′R)-7′,8′-Didehydro-3,3′-dihydroxy-β,β-caroten-4-one
  • ペクテノール4-ケトン
  • Pectenol 4-ketone
Show all
CAS registry number： 16913-24-9
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