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Heterocyclic building blocks

Citrinin

Also known as (-)-citrinin, Citriain, (3R,4S)-4,6-Dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3H-2-benzopyran-7-carboxylic acid

CAS 518-75-2Formula C13H14O5Molar mass 250.25 g/molEC 208-257-2
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Citrinin chemical structure, C13H14O5, CAS 518-75-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
518-75-2
Formula
C13H14O5
Molar mass
250.25 g/mol
EC number
208-257-2
HS code
293299
Category
Heterocyclic building blocks

What is Citrinin?

Plain description, key identifiers and synonyms

(-)-citrinin is a citrinin. It has a role as a Penicillium metabolite. It is an enantiomer of a (+)-citrinin.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3R,4S)-6-hydroxy-3,4,5-trimethyl-8-oxo-3,4-dihydroisochromene-7-carboxylic acid
CAS number
518-75-2 CAS number cross-checkedOther or deprecated CAS: 11118-72-2
EC number
208-257-2
Molecular formula
C13H14O5
UNII
3S697X6SNZ
MDL number
MFCD00006912
InChIKey
CBGDIJWINPWWJW-IYSWYEEDSA-N
InChI
InChI=1S/C13H14O5/c1-5-7(3)18-4-8-9(5)6(2)11(14)10(12(8)15)13(16)17/h4-5,7,14H,1-3H3,(H,16,17)/t5-,7-/m1/s1
Canonical SMILES
CC1=C2C(=COC(C)C2C)C(=O)C(C(=O)O)=C1O
Isomeric SMILES
C[C@@H]1[C@H](OC=C2C1=C(C(=C(C2=O)C(=O)O)O)C)C

Synonyms

  • (-)-citrinin
  • Citriain
  • (3R,4S)-4,6-Dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3H-2-benzopyran-7-carboxylic acid
  • Citrinin, 98%
  • (3R,4S)-6-hydroxy-3,4,5-trimethyl-8-oxo-3,4-dihydroisochromene-7-carboxylic acid
  • (3R,4S)-8-hydroxy-3,4,5-trimethyl-6-oxo-4,6-dihydro-3H-isochromene-7-carboxylic acid
  • (3R-trans)-4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3H-2-benzopyran-7-carboxylic acid
  • 3H-2-Benzopyran-7-carboxylic acid, 4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-, (3R-trans)-
  • 4,6-Dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3H-2-benzopyran-7-carboxylic acid
  • 3H-2-Benzopyran-7-carboxylic acid, 4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-, (3R,4S)-
  • (-)-citrinin, 4,6-Dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3H-2-benzopyran-7-carboxylic acid
  • (3R,4S)-8-Hdroxy-3,4,5-trimethyl-6-oxo-4,6-dihydro-3H-isochromene-7-carboxylic acid
  • (-)-Citrini
  • 3,4-Dihydro-8-hydroxy-3,4,5-trimethyl-6H-6-oxobenzo(c)pyran-7-carboxylic acid
  • 5-18-09-00061 (Beilstein Handbook Reference)
  • DivK1c_000646
  • Citrinin 100 |Ig/mL in Acetonitrile
  • Sdccgmls-0066537.p001
  • (3R,4S)-6-hydroxy-3,4,5-trimethyl-8-oxo-4,8-dihydro-3H-2-benzopyran-7-carboxylic acid
  • (3R,4S)-8-hydroxy-3,4,5-trimethyl-6-oxo-4,6-dihydro-3H-2-benzopyran-7-carboxylic acid
  • Citrinin 100 microg/mL in Acetonitrile
  • Citrinin solution in Acetonitrile, 100ug/mL
  • Citrinin, from Penicillium citrinum, >=98% (HPLC)
  • (4S,3R)-8-hydroxy-3,4,5-trimethyl-6-oxoisochromane-7-carboxylic acid
  • (3R,4S)-8-hydroxy-3,4,5-trimethyl-6-oxo-3,4-dihydroisochromene-7-carboxylic acid
Show all 31 synonyms
  • (3R-trans)-4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3H-2-benzopyran-7-carbox
  • <p>(3R,4S)-6-Hydroxy-3,4,5-trimethyl-8-oxo-3,4-dihydroisochromene-7-carboxylic acid</p>
  • 3H-2-Benzopyran-7-carboxylic acid, 4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-
  • 8-Hydroxy-3,4,5-trimethyl-6-oxo-4,6-dihydro-3H-isochromene-7-carboxylic acid #
  • 3H-2-Benzopyran-7-carboxylic acid, 4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-,(3R,4S)-
  • 3H-2-Benzopyran-7-carboxylic acid,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-, (3R-trans)-

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
250.25 g/molcalc.
Exact mass
250.0841 Dacalc.
LogP (octanol/water)
1.72calc.
Topological polar surface area
83.83 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
1calc.
Heavy atoms
18calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.39calc.
Formal charge
0calc.
Stereocentres
2calc.
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=C1C=CC=C2CCOC=C12

O=C1C=CC=C2CCOC=C12

2 rings, 11 atoms.

10 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.

Citrinin suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 12 suppliers
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Where suppliers are based

12 suppliers in 6 countries

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Citrinin 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

Roles

  • Penicillium metabolite
  • eukaryotic metabolite
  • fungal metabolite
  • metabolite

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

Frequently asked questions

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

What is Citrinin?

(-)-citrinin is a citrinin. It has a role as a Penicillium metabolite. It is an enantiomer of a (+)-citrinin.

What is the CAS number of Citrinin?

The CAS registry number of Citrinin is 518-75-2. Other or deprecated CAS numbers: 11118-72-2.

What is the molecular formula and weight of Citrinin?

The molecular formula of Citrinin is C13H14O5 and its molar mass is 250.25 g/mol.

What is Citrinin used for?

Known uses and roles of Citrinin include building blocks in research and laboratory, screening compounds in research and laboratory, penicillium metabolite, eukaryotic metabolite, fungal metabolite and 1 more.

Is Citrinin hazardous?

No GHS hazard classification for Citrinin 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 Citrinin?

Citrinin 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 Citrinin?

CompoundList lists 12 suppliers of Citrinin in China, United States, Australia, United Kingdom and 2 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Citrinin?

Suppliers quote Citrinin 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 Citrinin

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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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