Chem
J-GLOBAL ID:200907087375352115   Nikkaji number:J16.015F

Crocin

クロシン
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: C44H64O24
Molecular formula furigana: C44-H64-O24
Molecular weight: 976.972
InChI: InChI=1S/C44H64O24/c1-19(11-7-13-21(3)39(59)67-43-37(57)33(53)29(49)25(65-43)17-61-41-35(55)31(51)27(47)23(15-45)63-41)9-5-6-10-20(2)12-8-14-22(4)40(60)68-44-38(58)34(54)30(50)26(66-44)18-62-42-36(56)32(52)28(48)24(16-46)64-42/h5-14,23-38,41-58H,15-18H2,1-4H3/b6-5+,11-7+,12-8+,19-9+,20-10+,21-13+,22-14+/t23-,24-,25-,26-,27-,28-,29-,30-,31+,32+,33+,34+,35-,36-,37-,38-,41-,42-,43+,44+/m1/s1
InChI key: SEBIKDIMAPSUBY-RTJKDTQDSA-N
SMILES: C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)/C=C/C=C(\C)/C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (8):
  • 8,8′-ジアポ-ψ,ψ-カロテン-8,8′-二酸ビス(6-O-β-D-グルコピラノシル-β-D-グルコピラノシル)
  • 8,8′-ジアポ-ψ,ψ-カロテン-8,8′-二酸ビス[6-O-β-D-グルコピラノシル-β-D-グルコピラノシル]
  • (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-テトラメチル-2,4,6,8,10,12,14-ヘキサデカヘプタエン二酸ビス(6-O-β-D-グルコピラノシル-β-D-グルコピラノシル)
  • (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-テトラメチル-2,4,6,8,10,12,14-ヘキサデカヘプタエン二酸1,16-ビス[6-O-(β-D-グルコピラノシル)-β-D-グルコピラノシル]
  • 8,8′-ジアポ-ψ,ψ-カロテン-8,8′-二酸ビス[6-O-(β-D-グルコピラノシル)-β-D-グルコピラノシル]
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Other name (20):
  • クロシン
  • Crocin
  • 8,8′-Diapo-ψ,ψ-carotene-8,8′-dioic acid bis(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl) ester
  • trans-クロシン
  • 8,8′-Diapo-ψ,ψ-carotene-8,8′-dioic acid bis[6-O-β-D-glucopyranosyl-β-D-glucopyranosyl] ester
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CAS registry number: 42553-65-1
Regulation number (1):
  • EINECS2558816
KEGG COMPOUND: C08589
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