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Substance Name: Crocin
RN: 39465-00-4
InChIKey: SEBIKDIMAPSUBY-RTJKDTQDSA-N

Molecular Formula

  • Unspecified

Molecular Weight

  • 976.9656
 
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Names and Synonyms

Synonyms

  • Crocine
  • EINECS 254-465-1

Systematic Name

  • Crocin

Registry Numbers

CAS Registry Number

  • 39465-00-4

System Generated Number

  • 0039465004

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

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]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O