Chem
J-GLOBAL ID：200907010964862163   Nikkaji number：J710.162G

Cucurbitaxanthin A

ククルビタキサンチン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： 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(43-40)28-39(40,10)42/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： LMIFPRVTIOZTJN-SZYTUFQFSA-N
SMILES： C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O)/C=C/C=C(\C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C
Systematic name  (3)：
  • (3S,3′R,5R,6R)-3,6-エポキシ-5,6-ジヒドロ-β,β-カロテン-3′,5-ジオール
  • (1R,2R,4S)-1-[(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]-2,6,6-トリメチル-7-オキサビシクロ[2.2.1]ヘプタン-2-オール
  • (1R,2R,4S)-1-[(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]-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-2-ol
Other name (5)：
  • ククルビタキサンチンA
  • Cucurbitaxanthin A
  • (3S,3′R,5R,6R)-3,6-Epoxy-5,6-dihydro-β,β-carotene-3′,5-diol
  • カプソルテイン
  • Capsolutein
CAS registry number： 103955-77-7
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