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Substance Name: Crocin
RN: 42553-65-1
UNII: 877GWI46C2
InChIKey: SEBIKDIMAPSUBY-RTJKDTQDSA-N

Note

  • A free radical scavenger.

Molecular Formula

  • C44-H64-O24

Molecular Weight

  • 976.966
 
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Names and Synonyms

Results Name

  • Crocin

Name of Substance

  • Crocetin digentiobiose ester
  • Crocin

Synonyms

  • all-trans-Crocetin di-beta-D-gentiobiosyl ester
  • alpha-Crocin
  • BRN 6473367
  • CCRIS 678
  • Crocetin bis(gentiobiosyl) ester
  • Crocin
  • Crocin 1
  • Crocin 4
  • Crocin A
  • EINECS 255-881-6
  • HSDB 8211
  • trans-Crocetin di(beta-D-gentiobiosyl) ester
  • UNII-877GWI46C2

Systematic Names

  • 8,8'-Diapo-psi,psi-carotenedioic acid, bis(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl) ester
  • beta-D-Glucopyranose, 6-O-beta-D-glucopyranosyl-, 1,1'-((2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethyl-2,4,6,8,10,12,14-hexadecaheptaenedioate)
  • Bis(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl) 8,8'-diapo-psi,psi-carotenedioate

Registry Numbers

CAS Registry Number

  • 42553-65-1

FDA UNII

  • 877GWI46C2

Other Registry Numbers

  • 11012-59-2
  • 1160167-03-2
  • 1329-79-9
  • 52841-81-3
  • 53178-29-3

System Generated Number

  • 0042553651

Structure Descriptors

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

InChIKey

SEBIKDIMAPSUBY-RTJKDTQDSA-N

Smiles

O1[C@H]([C@@H]([C@@H](O)[C@@H](O)[C@H]1CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](CO)O1)O)O)O)O)OC(\C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C(O[C@@H]1O[C@@H]([C@@H](O)[C@@H](O)[C@H]1O)CO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](CO)O1)=O)C)C)C)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo subcutaneous 10gm/kg (10000mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
Japanese Journal of Pharmacology. Vol. 4, Pg. 69, 1954.