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Screening compounds

Nitidulin

Also known as 1,2-Benzenediol, 3-[3,4-dihydro-8-methyl-8-(4-methyl-3-pentenyl)-2H,8H-benzo[1,2-b:3,4-b']dipyran-3-yl]-6-methoxy-, 2H,8H-Benzo[1,2-b:3,4-b']dipyran, 1,2-benzenediol deriv., 1,2-Benzenediol, 3-[(3S)-3,4-dihydro-8-methyl-8-(4-methyl-3-pentenyl)-2H,8H-benzo[1,2-b:3,4-b']dipyran-3-yl]-6-methoxy-

CAS 66446-87-5Formula C26H30O5Molar mass 422.52 g/mol
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Nitidulin chemical structure, C26H30O5, CAS 66446-87-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
66446-87-5
Formula
C26H30O5
Molar mass
422.52 g/mol
HS code
293299
Category
Screening compounds

What is Nitidulin?

Plain description, key identifiers and synonyms

nitidulin has been reported in Berchemia discolor.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-methoxy-6-[8-methyl-8-(4-methylpent-3-enyl)-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]benzene-1,2-diol
CAS number
66446-87-5
Molecular formula
C26H30O5
InChIKey
GRHKVSQNMXZXME-UHFFFAOYSA-N
InChI
InChI=1S/C26H30O5/c1-16(2)6-5-12-26(3)13-11-20-21(31-26)9-7-17-14-18(15-30-25(17)20)19-8-10-22(29-4)24(28)23(19)27/h6-11,13,18,27-28H,5,12,14-15H2,1-4H3
SMILES (canonical and isomeric)
CC(=CCCC1(C=CC2=C(O1)C=CC3=C2OCC(C3)C4=C(C(=C(C=C4)OC)O)O)C)C

Synonyms

  • 1,2-Benzenediol, 3-[3,4-dihydro-8-methyl-8-(4-methyl-3-pentenyl)-2H,8H-benzo[1,2-b:3,4-b']dipyran-3-yl]-6-methoxy-
  • 2H,8H-Benzo[1,2-b:3,4-b']dipyran, 1,2-benzenediol deriv.
  • 1,2-Benzenediol, 3-[(3S)-3,4-dihydro-8-methyl-8-(4-methyl-3-pentenyl)-2H,8H-benzo[1,2-b:3,4-b']dipyran-3-yl]-6-methoxy-
  • 3-methoxy-6-[8-methyl-8-(4-methylpent-3-enyl)-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]benzene-1,2-diol
  • 2H,8H-Benzo(1,2-b:3,4-b')dipyran, 1,2-benzenediol deriv.
  • 1,2-Benzenediol, 3-((3S)-3,4-dihydro-8-methyl-8-(4-methyl-3-pentenyl)-2H,8H-benzo(1,2-b:3,4-b')dipyran-3-yl)-6-methoxy-
  • 1,2-Benzenediol, 3-(3,4-dihydro-8-methyl-8-(4-methyl-3-pentenyl)-2H,8H-benzo(1,2-b:3,4-b')dipyran-3-yl)-6-methoxy-
  • 3-methoxy-6-((3S)-8-methyl-8-(4-methylpent-3-enyl)-3,4-dihydro-2H-pyrano(2,3-f)chromen-3-yl)benzene-1,2-diol
  • 3-methoxy-6-(8-methyl-8-(4-methylpent-3-enyl)-3,4-dihydro-2H-pyrano(2,3-f)chromen-3-yl)benzene-1,2-diol
  • 3-methoxy-6-[(3S)-8-methyl-8-(4-methylpent-3-enyl)-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]benzene-1,2-diol
  • 3-Methoxy-6-[8-methyl-8-(4-methyl-3-pentenyl)-3,4-dihydro-2H,8H-pyrano[2,3-f]chromen-3-yl]-1,2-benzenediol #

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
422.52 g/molcalc.
Exact mass
422.2093 Dacalc.
LogP (octanol/water)
5.74calc.
Topological polar surface area
68.15 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
5calc.
Heavy atoms
31calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.39calc.
Formal charge
0calc.
Stereocentres
2calc.
Lipinski rule of five
Passes (1 violation)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, C1=Cc2c(ccc3c2OCC(c2ccccc2)C3)OC1

C1=Cc2c(ccc3c2OCC(c2ccccc2)C3)OC1

4 rings, 20 atoms.

11 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.

Nitidulin suppliers

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

Frequently asked questions

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

What is Nitidulin?

nitidulin has been reported in Berchemia discolor.

What is the CAS number of Nitidulin?

The CAS registry number of Nitidulin is 66446-87-5.

What is the molecular formula and weight of Nitidulin?

The molecular formula of Nitidulin is C26H30O5 and its molar mass is 422.52 g/mol.

What is Nitidulin used for?

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

Is Nitidulin hazardous?

No GHS hazard classification for Nitidulin 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 Nitidulin?

Nitidulin 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 Nitidulin?

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What is the price of Nitidulin?

Suppliers quote Nitidulin 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 Nitidulin

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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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