Chem
J-GLOBAL ID：200907054528753089   Nikkaji number：J819.779B

(3S,5S,5′S,6R,6′R)-5,6:5′,6′-Diepoxy-β-cryptoxanthin

(3S,5S,5′S,6R,6′R)-5,6:5′,6′-ジエポキシ-β-クリプトキサンチン
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： C40H56O3
Molecular formula furigana： C40-H56-O3
Molecular weight： 584.885
InChI： InChI=1S/C40H56O3/c1-30(18-13-20-32(3)22-26-39-35(5,6)24-15-25-37(39,9)42-39)16-11-12-17-31(2)19-14-21-33(4)23-27-40-36(7,8)28-34(41)29-38(40,10)43-40/h11-14,16-23,26-27,34,41H,15,24-25,28-29H2,1-10H3/b12-11+,18-13+,19-14+,26-22+,27-23+,30-16+,31-17+,32-20+,33-21+/t34-,37-,38-,39+,40+/m0/s1
InChI key： ONQKWANDXQNLEJ-ILDRMZAWSA-N
SMILES： C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@]12O[C@@]1(C)C[C@@H](O)CC2(C)C)/C=C/C=C(\C)/C=C/[C@]12O[C@@]1(C)CCCC2(C)C
Systematic name  (3)：
  • (3S,5S,5′S,6R,6′R)-5,6:5′,6′-ジエポキシ-β,β-カロテン-3-オール
  • (1S,3S,6R)-1,5,5-トリメチル-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-テトラメチル-18-[(1R,6S)-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]オクタデカ-1,3,5,7,9,11,13,15,17-ノナエン-1-イル]-7-オキサビシクロ[4.1.0]ヘプタン-3-オール
  • (1S,3S,6R)-1,5,5-trimethyl-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1R,6S)-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-7-oxabicyclo[4.1.0]heptan-3-ol
Other name (3)：
  • (3S,5S,5′S,6R,6′R)-5,6:5′,6′-ジエポキシ-β-クリプトキサンチン
  • (3S,5S,5′S,6R,6′R)-5,6:5′,6′-Diepoxy-β-cryptoxanthin
  • (3S,5S,5′S,6R,6′R)-5,6:5′,6′-Diepoxy-β,β-caroten-3-ol
Thsaurus map：
Thesaurus Map

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