Chem
J-GLOBAL ID：200907032069751759   Nikkaji number：J17.034H

Antheraxanthin B

アンテラキサンチンB
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/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(42)28-39(40,10)43-40/h11-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39+,40-/m1/s1
InChI key： OFNSUWBAQRCHAV-ZFOACMAHSA-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/C1=C(C)C[C@@H](O)CC1(C)C
Systematic name  (3)：
  • (3S,3′R,5S,6R)-5,6-エポキシ-5,6-ジヒドロ-β,β-カロテン-3,3′-ジオール
  • (1S,3S,6R)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-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-1,3,5,7,9,11,13,15,17-ノナエン-1-イル]-1,5,5-トリメチル-7-オキサビシクロ[4.1.0]ヘプタン-3-オール
  • (1S,3S,6R)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
Other name (3)：
  • アンテラキサンチンB
  • Antheraxanthin B
  • (3S,3′R,5S,6R)-5,6-Epoxy-5,6-dihydro-β,β-carotene-3,3′-diol
CAS registry number： 25494-45-5
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