Chem
J-GLOBAL ID：200907074325914495   Nikkaji number：J704.366J

Halocynthiaxanthin

ハロシンチアキサンチン
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： C40H54O4
Molecular formula furigana： C40-H54-O4
Molecular weight： 598.868
InChI： InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)24-37(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36(43)27-40-38(8,9)25-34(42)26-39(40,10)44-40/h11-20,33-34,41-42H,23-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+/t33-,34+,39-,40+/m1/s1
InChI key： CNOIXMULOQWVGR-ABUIXNMTSA-N
SMILES： C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C(=O)C[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)/C=C/C=C(\C)/C#CC1=C(C)C[C@@H](O)CC1(C)C
Systematic name  (3)：
  • (3R,3′S,5′R,6′S)-7,8-ジデヒドロ-5′,6′-エポキシ-5′,6′,7′,8′-テトラヒドロ-8′-オキソ-β,β-カロテン-3,3′-ジオール
  • (3E,5E,7E,9E,11E,13E,15E)-1-[(1S,4S,6R)-4-ヒドロキシ-2,2,6-トリメチル-7-オキサビシクロ[4.1.0]ヘプタン-1-イル]-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-3,5,7,9,11,13,15-ヘプタエン-17-イン-2-オン
  • (3E,5E,7E,9E,11E,13E,15E)-1-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15-heptaen-17-yn-2-one
Other name (3)：
  • ハロシンチアキサンチン
  • Halocynthiaxanthin
  • (3R,3′S,5′R,6′S)-7,8-Didehydro-5′,6′-epoxy-5′,6′,7′,8′-tetrahydro-8′-oxo-β,β-carotene-3,3′-diol
CAS registry number： 81306-52-7
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