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Screening compounds

Sieboldin

Also known as 3-Hydroxyphloretin-4'-glucoside, 3-(3,4-dihydroxyphenyl)-1-[2,6-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one, 3-Hydroxyphloretin-4??-glucoside

CAS 18777-73-6Formula C21H24O11Molar mass 452.41 g/mol
1 supplier listed
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Sieboldin chemical structure, C21H24O11, CAS 18777-73-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
18777-73-6
Formula
C21H24O11
Molar mass
452.41 g/mol
HS code
293299
Category
Screening compounds

What is Sieboldin?

Plain description, key identifiers and synonyms

Sieboldin is a chemical substance with the molecular formula C21H24O11 and a molar mass of 452.41 g/mol. Its CAS registry number is 18777-73-6. The IUPAC name is 3-(3,4-dihydroxyphenyl)-1-[2,6-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-(3,4-dihydroxyphenyl)-1-[2,6-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one
CAS number
18777-73-6
Molecular formula
C21H24O11
InChIKey
XJHMLSKQZFKMLL-UHFFFAOYSA-N
InChI
InChI=1S/C21H24O11/c22-8-16-18(28)19(29)20(30)21(32-16)31-10-6-14(26)17(15(27)7-10)12(24)4-2-9-1-3-11(23)13(25)5-9/h1,3,5-7,16,18-23,25-30H,2,4,8H2
SMILES (canonical and isomeric)
C1=CC(=C(C=C1CCC(=O)C2=C(C=C(C=C2O)OC3C(C(C(C(O3)CO)O)O)O)O)O)O

Synonyms

  • 3-Hydroxyphloretin-4'-glucoside
  • 3-(3,4-dihydroxyphenyl)-1-[2,6-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one
  • 3-Hydroxyphloretin-4??-glucoside
  • Sieboldin (8CI)
  • 3-(3,4-Dihydroxyphenyl)-1-[4-(b-D-glucopyranosyloxy)-2,6-dihydroxyphenyl]-1-propanone

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
452.41 g/molcalc.
Exact mass
452.1319 Dacalc.
LogP (octanol/water)
-0.5calc.
Topological polar surface area
197.4 Ųcalc.
Hydrogen bond donors
8calc.
Hydrogen bond acceptors
11calc.
Rotatable bonds
7calc.
Heavy atoms
32calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.38calc.
Formal charge
0calc.
Stereocentres
5calc.
Lipinski rule of five
Fails (2 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=C(CCc1ccccc1)c1ccc(OC2CCCCO2)cc1

O=C(CCc1ccccc1)c1ccc(OC2CCCCO2)cc1

3 rings, 23 atoms.

9 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.

Sieboldin suppliers

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Where suppliers are based

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Sieboldin 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

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 Sieboldin 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 Sieboldin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Sieboldin?

Sieboldin is a chemical substance with the molecular formula C21H24O11 and a molar mass of 452.41 g/mol. Its CAS registry number is 18777-73-6. The IUPAC name is 3-(3,4-dihydroxyphenyl)-1-[2,6-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one.

What is the CAS number of Sieboldin?

The CAS registry number of Sieboldin is 18777-73-6.

What is the molecular formula and weight of Sieboldin?

The molecular formula of Sieboldin is C21H24O11 and its molar mass is 452.41 g/mol.

What is Sieboldin used for?

Known uses and roles of Sieboldin include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Sieboldin hazardous?

No GHS hazard classification for Sieboldin 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 Sieboldin?

Sieboldin 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 Sieboldin?

CompoundList lists 1 supplier of Sieboldin in Germany. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Sieboldin?

Suppliers quote Sieboldin 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

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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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