Cynarin

CAS Registry Number®

30964-13-7
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CAS Name

Cynarin

Molecular Formula

C25H24O12

Molecular Mass

516.45

Cite this Page

Cynarin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=30964-13-7 (retrieved 2024-04-27) (CAS RN: 30964-13-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    225-227 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/t19-,20-,23+,25-/m1/s1

InChIKey

InChIKey=YDDUMTOHNYZQPO-GCBRTHAASA-N

SMILES

O(C(C=CC1=CC(O)=C(O)C=C1)=O)[C@@]2(C(O)=O)C[C@@H](OC(C=CC3=CC(O)=C(O)C=C3)=O)[C@@H](O)[C@H](O)C2

Canonical SMILES

O=C(OC1CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)(C(=O)O)CC(O)C1O)C=CC3=CC=C(O)C(O)=C3

Other Names for this Substance

  • Cyclohexanecarboxylic acid, 1,3-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-4,5-dihydroxy-, (1R,3R,4S,5R)-
  • Cinnamic acid, 3,4-dihydroxy-, 1-carboxy-4,5-dihydroxy-1,3-cyclohexylene ester
  • Cyclohexanecarboxylic acid, 1,3-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-4,5-dihydroxy-, [1R-(1α,3α,4α,5β)]-
  • Cynarine
  • Cyclohexanecarboxylic acid, 1,3-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-4,5-dihydroxy-, (1R,3R,4S,5R)-

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