Chem
J-GLOBAL ID：200907017319306030   Nikkaji number：J1.312.326H

Isofucoxanthinol

イソフコキサンチノール
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： C40H56O5
Molecular formula furigana： C40-H56-O5
Molecular weight： 616.883
InChI： InChI=1S/C40H56O5/c1-28(17-13-18-30(3)21-22-35-37(5,6)24-32(41)26-39(35,9)44)15-11-12-16-29(2)19-14-20-31(4)34(43)23-36-38(7,8)25-33(42)27-40(36,10)45/h11-21,23,32-33,41-42,44-45H,24-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+,36-23?/t22?,32-,33-,39+,40+/m0/s1
InChI key： MMJDJIJUPVPKSW-BZGGEOFJSA-N
SMILES： C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C(=O)C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)/C=C/C=C(\C)/C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O
Systematic name  (3)：
  • (3S,3′S,5R,5′R)-5′-ヒドロ-7′-デヒドロ-3,3′,5,5′-テトラヒドロキシ-β,β-カロテン-8(5H)-オン
  • (3E,5E,7E,9E,11E,13E,15E)-1,18-ビス[(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
  • (3E,5E,7E,9E,11E,13E,15E)-1,18-bis[(2R,4S)-2,4-dihydroxy-2,6,6-trimethylcyclohexylidene]-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15,17-octaen-2-one
Other name (3)：
  • (3S,3′S,5R,5′R)-5′-Hydro-7′-dehydro-3,3′,5,5′-tetrahydroxy-β,β-carotene-8(5H)-one
  • イソフコキサンチノール
  • Isofucoxanthinol
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