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Screening compounds

Aflatoxicol

Also known as Aflatoxin Ro, Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-11(1H)-one, 2,3,6a,9a-tetrahydro-1-hydroxy-4-methoxy-, (1S,6aR,9aS)-, aflatoxin R

CAS 29611-03-8Formula C17H14O6Molar mass 314.29 g/molEC 249-727-7
GHS signal word: Danger. Pictograms: Acute toxicity (severe), Serious health hazard 2 suppliers listed
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Aflatoxicol chemical structure, C17H14O6, CAS 29611-03-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
29611-03-8
Formula
C17H14O6
Molar mass
314.29 g/mol
EC number
249-727-7
HS code
293220
Category
Screening compounds

What is Aflatoxicol?

Plain description, key identifiers and synonyms

Aflatoxicol is a chemical substance with the molecular formula C17H14O6 and a molar mass of 314.29 g/mol. Its CAS registry number is 29611-03-8. The IUPAC name is (3S,7R,16S)-16-hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaen-18-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3S,7R,16S)-16-hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaen-18-one
CAS number
29611-03-8 CAS number cross-checked
EC number
249-727-7
Molecular formula
C17H14O6
UNII
45I1K5482V
MDL number
MFCD00082506
InChIKey
WYIWLDSPNDMZIT-IRWWLHRVSA-N
InChI
InChI=1S/C17H14O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h4-6,8-9,17-18H,2-3H2,1H3/t8-,9-,17+/m0/s1
Canonical SMILES
COc1cc2c(c3oc(=O)c4c(c13)CCC4O)C1C=COC1O2
Isomeric SMILES
COC1=C2C3=C([C@H](CC3)O)C(=O)OC2=C4[C@@H]5C=CO[C@@H]5OC4=C1

Synonyms

  • Aflatoxin Ro
  • Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-11(1H)-one, 2,3,6a,9a-tetrahydro-1-hydroxy-4-methoxy-, (1S,6aR,9aS)-
  • aflatoxin R
  • 16-hydroxy-11-methoxy-6,8,19-trioxapentacyclo(10.7.0.02,9.03,7.013,17)nonadeca-1,4,9,11,13(17)-pentaen-18-one
  • Aflatoxicol natural epimer
  • (3S,7R,16S)-16-hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaen-18-one
  • AFL
  • (1S-(1alpha,6abeta,9abeta))-2,3,6a,9a-Tetrahydro-1-hydroxy-4-methoxycyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-11(1H)-one
  • (3S,7R,16S)-11-methoxy-16-oxidanyl-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaen-18-one
  • (3S,7S,16R)-16-Hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaen-18-one
  • yclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-11(1H)-one, 2,3,6a,9a-tetrahydro-1-hydroxy-4-methoxy-, (1S,6aR,9aS)-

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
314.29 g/molcalc.
Exact mass
314.079 Dacalc.
LogP (octanol/water)
2.13calc.
Topological polar surface area
78.13 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
1calc.
Heavy atoms
23calc.
Rings
5calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.35calc.
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=c1oc2c3c(ccc2c2c1CCC2)OC1OC=CC31

O=c1oc2c3c(ccc2c2c1CCC2)OC1OC=CC31

5 rings, 20 atoms.

3 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H300Fatal if swallowed.
  • H310Fatal in contact with skin.
  • H330Fatal if inhaled.
  • H350May cause cancer.
  • H360May damage fertility or the unborn child.
Precautionary statements (20)
  • P203Obtain, read and follow all safety instructions before use.
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P262Do not get in eyes, on skin, or on clothing.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P284In case of inadequate ventilation wear respiratory protection.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P316Get emergency medical help immediately.
  • P318If exposed or concerned, get medical advice.
  • P320Specific treatment is urgent (see supplemental first aid instructions on the label).
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P361 + P364Take off immediately all 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

Aflatoxicol suppliers

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

All 2 suppliers

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Where suppliers are based

2 suppliers in 2 countries

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Aflatoxicol price

Indicative price range per kg from live supplier offers

No published prices right now

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Uses and applications

What the substance is used for, by industry and function

Pharmacological actions

  • Carcinogens

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 Aflatoxicol is traded under.

HS 2932.20Indicative HS code

Lactones

World exports in 2024
$1.97B
−4.7% vs 2023, imports $2.07B
2019 to 2024
Top exporters
  1. China56.3%
  2. India * partner reported7.4%
  3. Germany7.3%
Top importers
  1. United States14.2%
  2. India * partner reported13.5%
  3. Brazil8.5%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Aflatoxicol?

Aflatoxicol is a chemical substance with the molecular formula C17H14O6 and a molar mass of 314.29 g/mol. Its CAS registry number is 29611-03-8. The IUPAC name is (3S,7R,16S)-16-hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaen-18-one.

What is the CAS number of Aflatoxicol?

The CAS registry number of Aflatoxicol is 29611-03-8.

What is the molecular formula and weight of Aflatoxicol?

The molecular formula of Aflatoxicol is C17H14O6 and its molar mass is 314.29 g/mol.

What is Aflatoxicol used for?

Known uses and roles of Aflatoxicol include building blocks in research and laboratory, screening compounds in research and laboratory and carcinogens.

Is Aflatoxicol hazardous?

Aflatoxicol carries the GHS signal word "Danger". Main hazards: fatal if swallowed, fatal in contact with skin, fatal if inhaled. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Aflatoxicol?

Aflatoxicol is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Aflatoxicol?

CompoundList lists 2 suppliers of Aflatoxicol in Israel and United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Aflatoxicol?

Suppliers quote Aflatoxicol 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 Aflatoxicol

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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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