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Flavonoids and polyphenols

5-Hydroxycastavinol

Also known as Castavinol C3, 1-((2S,5S,10R)-2-(3,4-Dihydroxy-5-methoxyphenyl)-10-(beta-d-glucopyranosyloxy)-4,5-dihydro-6,8-dihydroxy-4-methyl-2,5-methano-1,3-benzodioxepin-4-yl)ethanone, Ethanone, 1-((2S,5S,10R)-2-(3,4-dihydroxy-5-methoxyphenyl)-10-(beta-D-glucopyranosyloxy)-4,5-dihydro-6,8-dihydroxy-4-methyl-2,5-methano-1,3-benzodioxepin-4-yl)-

CAS 183607-17-2Formula C26H30O14Molar mass 566.51 g/mol
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5-Hydroxycastavinol chemical structure, C26H30O14, CAS 183607-17-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
183607-17-2
Formula
C26H30O14
Molar mass
566.51 g/mol
HS code
293890
Category
Flavonoids and polyphenols

What is 5-Hydroxycastavinol?

Plain description, key identifiers and synonyms

5-Hydroxycastavinol has been reported in Vitis vinifera.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-[(1S,9S,12R)-9-(3,4-dihydroxy-5-methoxyphenyl)-3,5-dihydroxy-11-methyl-12-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,10-dioxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-11-yl]ethanone
CAS number
183607-17-2
Molecular formula
C26H30O14
UNII
ZHZ5SCW9G9
InChIKey
ADFRCNLBRJARNV-MHDKHVFCSA-N
InChI
InChI=1S/C26H30O14/c1-9(28)25(2)18-17-12(30)6-11(29)7-14(17)39-26(40-25,10-4-13(31)19(32)15(5-10)36-3)23(18)38-24-22(35)21(34)20(33)16(8-27)37-24/h4-7,16,18,20-24,27,29-35H,8H2,1-3H3/t16-,18+,20-,21+,22-,23-,24+,25?,26+/m1/s1
Canonical SMILES
COc1cc(C23Oc4cc(O)cc(O)c4C(C2OC2OC(CO)C(O)C(O)C2O)C(C)(C(C)=O)O3)cc(O)c1O
Isomeric SMILES
CC(=O)C1([C@@H]2[C@H]([C@](O1)(OC3=CC(=CC(=C23)O)O)C4=CC(=C(C(=C4)OC)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C

Synonyms

  • Castavinol C3
  • 1-((2S,5S,10R)-2-(3,4-Dihydroxy-5-methoxyphenyl)-10-(beta-d-glucopyranosyloxy)-4,5-dihydro-6,8-dihydroxy-4-methyl-2,5-methano-1,3-benzodioxepin-4-yl)ethanone
  • Ethanone, 1-((2S,5S,10R)-2-(3,4-dihydroxy-5-methoxyphenyl)-10-(beta-D-glucopyranosyloxy)-4,5-dihydro-6,8-dihydroxy-4-methyl-2,5-methano-1,3-benzodioxepin-4-yl)-

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
566.51 g/molcalc.
Exact mass
566.1636 Dacalc.
LogP (octanol/water)
-0.59calc.
Topological polar surface area
225.1 Ųcalc.
Hydrogen bond donors
8calc.
Hydrogen bond acceptors
14calc.
Rotatable bonds
6calc.
Heavy atoms
40calc.
Rings
5calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.5calc.
Formal charge
0calc.
Stereocentres
9calc.
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, c1ccc(C23OCC(c4ccccc4O2)C3OC2CCCCO2)cc1

c1ccc(C23OCC(c4ccccc4O2)C3OC2CCCCO2)cc1

5 rings, 25 atoms.

2 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.

5-Hydroxycastavinol suppliers

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5-Hydroxycastavinol 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 5-Hydroxycastavinol is traded under.

HS 2938.90Indicative HS code

Natural or reproduced by synthesis, other than rutoside (rutin) and its derivatives

World exports in 2024
$1.4B
−8.3% vs 2023, imports $1.35B
2019 to 2024
Top exporters
  1. China49.2%
  2. France * partner reported8.9%
  3. Malaysia6.1%
Top importers
  1. United States22.3%
  2. India * partner reported7.8%
  3. Brazil5.5%

* Partner reported figures, a lower bound.

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

The HS code shown for 5-Hydroxycastavinol is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 5-Hydroxycastavinol, based on the data on this page

What is 5-Hydroxycastavinol?

5-Hydroxycastavinol has been reported in Vitis vinifera.

What is the CAS number of 5-Hydroxycastavinol?

The CAS registry number of 5-Hydroxycastavinol is 183607-17-2.

What is the molecular formula and weight of 5-Hydroxycastavinol?

The molecular formula of 5-Hydroxycastavinol is C26H30O14 and its molar mass is 566.51 g/mol.

Is 5-Hydroxycastavinol hazardous?

No GHS hazard classification for 5-Hydroxycastavinol 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 5-Hydroxycastavinol?

5-Hydroxycastavinol is usually classified under HS code 293890 (Glycosides, natural or reproduced by synthesis, and their salts, ethers, esters and…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 5-Hydroxycastavinol?

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What is the price of 5-Hydroxycastavinol?

Suppliers quote 5-Hydroxycastavinol 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 5-Hydroxycastavinol

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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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