Chem
J-GLOBAL ID:200907032914920018   Nikkaji number:J2.236.912A

Corbiculaxanthin 3′-acetate

コルビクラキサンチン3′-アセタート
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: C42H58O5
Molecular formula furigana: C42-H58-O5
Molecular weight: 642.921
InChI: InChI=1S/C42H58O5/c1-29(18-14-20-31(3)22-24-36-33(5)39(45)37(44)28-40(36,7)8)16-12-13-17-30(2)19-15-21-32(4)23-25-38-41(9,10)26-35(47-34(6)43)27-42(38,11)46/h12-24,35,37,39,44-46H,26-28H2,1-11H3/b13-12+,18-14+,19-15+,24-22+,29-16+,30-17+,31-20+,32-21+/t25?,35-,37-,39+,42+/m0/s1
InChI key: SCJRNAKKXUSBHB-AVRKXLGXSA-N
SMILES: CC(=O)O[C@H]1CC(C)(C)C(=C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C)[C@@H](O)[C@@H](O)CC2(C)C)/C)/C)[C@](C)(O)C1
Systematic name  (3):
  • (3S,3′S,4R,5′R,6′R)-6′,7′-ジデヒドロ-5′,6′-ジヒドロ-β,β-カロテン-3,3′,4,5′-テトラオール3′-アセタート
  • (1S,3R)-4-[(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(3R,4S)-3,4-ジヒドロキシ-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-イリデン]-3-ヒドロキシ-3,5,5-トリメチルシクロヘキシル アセタート
  • (1S,3R)-4-[(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(3R,4S)-3,4-dihydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-ylidene]-3-hydroxy-3,5,5-trimethylcyclohexyl acetate
Other name (3):
  • (3S,3′S,4R,5′R,6′R)-6′,7′-Didehydro-5′,6′-dihydro-β,β-carotene-3,3′,4,5′-tetraol 3′-acetate
  • コルビクラキサンチン3′-アセタート
  • Corbiculaxanthin 3′-acetate
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