Crocin 3

CAS Registry Number®

55750-85-1
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CAS Name

Crocin 3

Molecular Formula

C32H44O14

Molecular Mass

652.68

Cite this Page

Crocin 3.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=55750-85-1 (retrieved 2024-06-25) (CAS RN: 55750-85-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C32H44O14/c1-17(11-7-13-19(3)29(40)41)9-5-6-10-18(2)12-8-14-20(4)30(42)46-32-28(39)26(37)24(35)22(45-32)16-43-31-27(38)25(36)23(34)21(15-33)44-31/h5-14,21-28,31-39H,15-16H2,1-4H3,(H,40,41)/b6-5+,11-7+,12-8+,17-9+,18-10+,19-13+,20-14+/t21-,22-,23-,24-,25+,26+,27-,28-,31-,32+/m1/s1

InChIKey

InChIKey=VULLCGFNYWDRHL-YJOFKXFJSA-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)=O)\C)\C)/C)/C)=O)[C@H](O)[C@@H](O)[C@@H]2O

Canonical SMILES

O=C(O)C(=CC=CC(=CC=CC=C(C=CC=C(C(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C)C)C)C

Other Names for this Substance

  • β-D-Glucopyranose, 6-O-β-D-glucopyranosyl-, 1-[hydrogen (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethyl-2,4,6,8,10,12,14-hexadecaheptaenedioate]
  • 8,8′-Diapo-ψ,ψ-carotenedioic acid, mono(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl) ester
  • Crocin 3
  • Crocetin mono-β-D-gentiobiosyl ester
  • β-D-Glucopyranose, 1-O-(15-carboxy-2,6,11-trimethyl-1-oxo-2,4,6,8,10,12,14-hexadecaheptaenyl)-6-O-β-D-glucopyranosyl-, (all-E)-

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Deleted or Replaced CAS Registry Numbers

2082718-27-0

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