Chem
J-GLOBAL ID：200907065213357519   Nikkaji number：J1.892.947C

Amarouciaxanthin A

アマロウシアキサンチンA
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： C40H54O5
Molecular formula furigana： C40-H54-O5
Molecular weight： 614.867
InChI： InChI=1S/C40H54O5/c1-28(17-13-18-30(3)21-22-36-37(6,7)24-34(42)26-39(36,10)44)15-11-12-16-29(2)19-14-20-31(4)35(43)27-40(45)32(5)23-33(41)25-38(40,8)9/h11-21,23,34,42,44-45H,24-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+/t22?,34-,39+,40+/m0/s1
InChI key： NBAOGGCOLYTLDU-MEPQDIAVSA-N
SMILES： C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C(=O)C[C@@]1(O)C(=CC(=O)CC1(C)C)C)/C=C/C=C(\C)/C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O
Systematic name  (4)：
  • (3S,5R,6′S)-3,5,6′-トリヒドロキシ-6,7-ジデヒドロ-5,6,7′,8′-テトラヒドロ-β,ε-カロテン-3′,8′-ジオン
  • (1S)-1-ヒドロキシ-1-[(3E,5E,7E,9E,11E,13E,15E)-2-オキソ-17-[[(2R,4S)-2,4-ジヒドロキシ-2,6,6-トリメチルシクロヘキサン-1-イリデン]メチレン]-3,7,12,16-テトラメチル-3,5,7,9,11,13,15-ヘプタデカヘプタエニル]-2,6,6-トリメチル-2-シクロヘキセン-4-オン
  • (4S)-4-[(3E,5E,7E,9E,11E,13E,15E)-18-[(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-2-オキソオクタデカ-3,5,7,9,11,13,15,17-オクタエン-1-イル]-4-ヒドロキシ-3,5,5-トリメチルシクロヘキサ-2-エン-1-オン
  • (4S)-4-[(3E,5E,7E,9E,11E,13E,15E)-18-[(2R,4S)-2,4-dihydroxy-2,6,6-trimethylcyclohexylidene]-3,7,12,16-tetramethyl-2-oxooctadeca-3,5,7,9,11,13,15,17-octaen-1-yl]-4-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one
Other name (5)：
  • (3S,5R,6′S)-3,5,6′-Trihydroxy-6,7-didehydro-5,6,7′,8′-tetrahydro-β,ε-carotene-3′,8′-dione
  • (1S)-1-Hydroxy-1-[(3E,5E,7E,9E,11E,13E,15E)-2-oxo-17-[[(2R,4S)-2,4-dihydroxy-2,6,6-trimethylcyclohexane-1-ylidene]methylene]-3,7,12,16-tetramethyl-3,5,7,9,11,13,15-heptadecaheptenyl]-2,6,6-trimethyl-2-cyclohexene-4-one
  • Amarouciaxanthin A
  • アマローシアキサンチンA
  • アマロウシアキサンチンA
CAS registry number： 100667-78-5
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