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Screening compounds

Frangulin B

Also known as 3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-1,8-dihydroxy-6-methylanthracene-9,10-dione, 6-O-(D-Apiofuranosyl)-1,6,8-trihydroxy-3-methylanthraquinone, 3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-1,8-dihydroxy-6-methyl-anthracene-9,10-dione

CAS 14101-04-3Formula C20H18O9Molar mass 402.36 g/molEC 237-953-9
GHS signal word: Warning. Pictograms: Harmful or irritant
Get quotes Safety data
Frangulin B chemical structure, C20H18O9, CAS 14101-04-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
14101-04-3
Formula
C20H18O9
Molar mass
402.36 g/mol
EC number
237-953-9
HS code
293219
Category
Screening compounds

What is Frangulin B?

Plain description, key identifiers and synonyms

Frangulin B is an anthraquinone.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-1,8-dihydroxy-6-methylanthracene-9,10-dione
CAS number
14101-04-3 CAS number cross-checked
EC number
237-953-9
Molecular formula
C20H18O9
UNII
8CIK094KBU
MDL number
MFCD00016362
InChIKey
AEQMIFRODRFTJF-SLFFLAALSA-N
InChI
InChI=1S/C20H18O9/c1-8-2-10-14(12(22)3-8)17(25)15-11(16(10)24)4-9(5-13(15)23)29-19-18(26)20(27,6-21)7-28-19/h2-5,18-19,21-23,26-27H,6-7H2,1H3/t18-,19-,20+/m0/s1
Canonical SMILES
Cc1cc(O)c2c(c1)C(=O)c1cc(OC3OCC(O)(CO)C3O)cc(O)c1C2=O
Isomeric SMILES
CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)O[C@H]4[C@@H]([C@](CO4)(CO)O)O

Synonyms

  • 3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-1,8-dihydroxy-6-methylanthracene-9,10-dione
  • 6-O-(D-Apiofuranosyl)-1,6,8-trihydroxy-3-methylanthraquinone
  • 3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-1,8-dihydroxy-6-methyl-anthracene-9,10-dione
  • 3-((2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl)oxy-1,8-dihydroxy-6-methylanthracene-9,10-dione
  • 3-((2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl)oxy-1,8-dihydroxy-6-methyl-anthracene-9,10-dione
  • Frangulinb
  • 3-(D-Apio-beta-D-furanosyloxy)-1,8-dihydroxy-6-methylanthraquinone
  • 9,10-Anthracenedione, 3-(D-apio-beta-d-furanosyloxy)-1,8-dihydroxy-6-methyl-
  • 3-{[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-1,8-dihydroxy-6-methylanthracene-9,10-dione
  • 3-{[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-1,8-dihydroxy-6-methylanthracene-9,10-dione

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
402.36 g/molcalc.
Exact mass
402.0951 Dacalc.
LogP (octanol/water)
0calc.
Topological polar surface area
153.8 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
3calc.
Heavy atoms
29calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.3calc.
Formal charge
0calc.
Stereocentres
3calc.
Lipinski rule of five
Passes (0 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=C1c2ccccc2C(=O)c2cc(OC3CCCO3)ccc21

O=C1c2ccccc2C(=O)c2cc(OC3CCCO3)ccc21

4 rings, 22 atoms.

No other chemical in our database has this scaffold.

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
Precautionary statements (16)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

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

Full safety data and first aid

Frangulin B suppliers

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Frangulin B 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 Frangulin B is traded under.

HS 2932.19Indicative HS code

Compounds containing an unfused furan ring (whether or not hydrogenated) in the…

World exports in 2024
$2.62B
−6.4% vs 2023, imports $2.56B
2019 to 2024
Top exporters
  1. Germany57.9%
  2. Italy11.5%
  3. China10.4%
Top importers
  1. Greece40.4%
  2. Japan16.3%
  3. Germany12.8%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

Quick answers about Frangulin B, based on the data on this page

What is Frangulin B?

Frangulin B is an anthraquinone.

What is the CAS number of Frangulin B?

The CAS registry number of Frangulin B is 14101-04-3.

What is the molecular formula and weight of Frangulin B?

The molecular formula of Frangulin B is C20H18O9 and its molar mass is 402.36 g/mol.

What is Frangulin B used for?

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

Is Frangulin B hazardous?

Frangulin B carries the GHS signal word "Warning". Main hazards: causes skin irritation, causes serious eye irritation, may cause respiratory irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Frangulin B?

Frangulin B is usually classified under HS code 293219 (Compounds containing an unfused furan ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Frangulin B?

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What is the price of Frangulin B?

Suppliers quote Frangulin B 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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