Crocin

CAS Registry Number®

42553-65-1

CAS Name

Crocin

Molecular Formula

C44H64O24

Molecular Mass

976.96

Cite this Page

Crocin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=42553-65-1 (retrieved 2024-11-23) (CAS RN: 42553-65-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    186 °C

Source(s)

Other Names and Identifiers

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

InChIKey

InChIKey=SEBIKDIMAPSUBY-RTJKDTQDSA-N

SMILES

C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]2O[C@@H](OC(/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C(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)=O)\C)\C)/C)/C)=O)[C@H](O)[C@@H](O)[C@@H]2O

Canonical SMILES

O=C(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C(=CC=CC(=CC=CC=C(C=CC=C(C(=O)OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)C)C)C)C

Other Names for this Substance

  • β-D-Glucopyranose, 6-O-β-D-glucopyranosyl-, 1,1′-[(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethyl-2,4,6,8,10,12,14-hexadecaheptaenedioate]
  • Crocin
  • 8,8′-Diapo-ψ,ψ-carotenedioic acid, bis(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl) ester
  • α-Crocin
  • Crocin 1

View All

Deleted or Replaced CAS Registry Numbers

1329-79-9, 11012-59-2, 52841-81-3, 53178-29-3, 1160167-03-2, 2082718-30-5

CAS INSIGHTSTM
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