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Flavonoids and polyphenols

Parthenosin

Also known as Quercetin 3-(6''-n-butylglucuronide), Quercetin 3-O-|A-D-glucuronide butyl ester, butyl (2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate

CAS 166196-16-3Formula C25H26O13Molar mass 534.47 g/mol
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Parthenosin chemical structure, C25H26O13, CAS 166196-16-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
166196-16-3
Formula
C25H26O13
Molar mass
534.47 g/mol
HS code
293299
Category
Flavonoids and polyphenols

What is Parthenosin?

Plain description, key identifiers and synonyms

Parthenosin is a chemical substance with the molecular formula C25H26O13 and a molar mass of 534.47 g/mol. Its CAS registry number is 166196-16-3. The IUPAC name is butyl (2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
butyl (2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate
CAS number
166196-16-3
Molecular formula
C25H26O13
InChIKey
INCAPNMMVMDQPT-PNRYVWDLSA-N
InChI
InChI=1S/C25H26O13/c1-2-3-6-35-24(34)23-19(32)18(31)20(33)25(38-23)37-22-17(30)16-14(29)8-11(26)9-15(16)36-21(22)10-4-5-12(27)13(28)7-10/h4-5,7-9,18-20,23,25-29,31-33H,2-3,6H2,1H3/t18-,19-,20+,23-,25+/m0/s1
SMILES
CCCCOC(=O)[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O

Synonyms

  • Quercetin 3-(6''-n-butylglucuronide)
  • Quercetin 3-O-|A-D-glucuronide butyl ester
  • butyl (2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
534.47 g/molcalc.
Exact mass
534.1373 Dacalc.
LogP (octanol/water)
0.81calc.
Topological polar surface area
216.6 Ųcalc.
Hydrogen bond donors
7calc.
Hydrogen bond acceptors
13calc.
Rotatable bonds
7calc.
Heavy atoms
38calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.36calc.
Formal charge
0calc.
Stereocentres
5calc.
Lipinski rule of five
Fails (3 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=c1c(OC2CCCCO2)c(-c2ccccc2)oc2ccccc12

O=c1c(OC2CCCCO2)c(-c2ccccc2)oc2ccccc12

4 rings, 24 atoms.

110 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Parthenosin suppliers

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Parthenosin price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Parthenosin is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Parthenosin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Parthenosin, based on the data on this page

What is Parthenosin?

Parthenosin is a chemical substance with the molecular formula C25H26O13 and a molar mass of 534.47 g/mol. Its CAS registry number is 166196-16-3. The IUPAC name is butyl (2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate.

What is the CAS number of Parthenosin?

The CAS registry number of Parthenosin is 166196-16-3.

What is the molecular formula and weight of Parthenosin?

The molecular formula of Parthenosin is C25H26O13 and its molar mass is 534.47 g/mol.

Is Parthenosin hazardous?

No GHS hazard classification for Parthenosin is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Parthenosin?

Parthenosin is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Parthenosin?

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What is the price of Parthenosin?

Suppliers quote Parthenosin on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Parthenosin

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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