Chrysanthemin
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MedKoo CAT#: 600126

CAS#: 7084-24-4

Description: Chrysanthemin is an anthocyanin. It is the 3-glucoside of cyanidin. Chrysanthemin can be found in the roselle plant (Hibiscus sabdariffa, Malvaceae), different Japanese angiosperms, and Rhaponticum (Asteraceae). The biosynthesis of cyanidin 3-O-glucoside in Escherichia coli was demonstrated by mean of metabolic genetic engineering. In Arabidopsis thaliana, a glycosyltransferase, UGT79B1, is involved in the anthocyanin biosynthetic pathway. UGT79B1 protein converts cyanidin 3-O-glucoside to cyanidin 3-O-xylosyl(1→2)glucoside.


Chemical Structure

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Chrysanthemin
CAS# 7084-24-4

Theoretical Analysis

MedKoo Cat#: 600126
Name: Chrysanthemin
CAS#: 7084-24-4
Chemical Formula: C21H23ClO11
Exact Mass: 486.09289
Molecular Weight: 486.85
Elemental Analysis: C, 51.81; H, 4.76; Cl, 7.28; O, 36.15

Price and Availability

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1.0mg USD 310.0 2 Weeks
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Synonym:

IUPAC/Chemical Name: (2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol chloride

InChi Key: QZBOIIGRIHVNTM-KLJGKOGVSA-N

InChi Code: InChI=1S/C21H22O11.ClH/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8;/h1-5,16-22,27-29H,6-7H2,(H3-,23,24,25,26);1H/t16-,17-,18+,19-,20?,21+;/m1./s1

SMILES Code: O[C@H]1[C@@H](O[C+]2C(C3=CC=C(O)C(O)=C3)OC4=C(C(O)=CC(O)=C4)C2)O[C@H](CO)[C@@H](O)[C@@H]1O.[Cl-]

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO.

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Preparing Stock Solutions

The following data is based on the product molecular weight 486.85 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

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1: Soto-Rojo R, Baldenebro-López J, Flores-Holguín N, Glossman-Mitnik D. Comparison of several protocols for the computational prediction of the maximum absorption wavelength of chrysanthemin. J Mol Model. 2014 Aug;20(8):2378. doi: 10.1007/s00894-014-2378-2. Epub 2014 Jul 25. PubMed PMID: 25060149.