Chem
J-GLOBAL ID：200907025174693393   Nikkaji number：J41.478F

Crocin-4

クロシン4
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： C27H36O9
Molecular formula furigana： C27-H36-O9
Molecular weight： 504.576
InChI： InChI=1S/C27H36O9/c1-17(12-8-14-19(3)25(32)34-5)10-6-7-11-18(2)13-9-15-20(4)26(33)36-27-24(31)23(30)22(29)21(16-28)35-27/h6-15,21-24,27-31H,16H2,1-5H3/b7-6+,12-8+,13-9+,17-10+,18-11+,19-14+,20-15+/t21-,22-,23+,24-,27+/m1/s1
InChI key： ATQIQIBBBWQWOT-OMNKTTJZSA-N
SMILES： COC(=O)/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)/C)/C
Systematic name  (3)：
  • 8,8′-ジアポ-ψ,ψ-カロテン-8,8′-二酸8-メチル8′-β-D-グルコピラノシル
  • 1-メチル (2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-テトラメチルヘキサデカ-2,4,6,8,10,12,14-ヘプタエンジオアート
  • 1-methyl (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate
Other name (3)：
  • クロシン4
  • Crocin-4
  • 8,8′-Diapo-ψ,ψ-carotene-8,8′-dioic acid 8-methyl 8′-β-D-glucopyranosyl ester
CAS registry number： 55750-86-2
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