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Screening compounds

Collinusin

Also known as 9-(1,3-Benzodioxol-5-yl)-3a,4-dihydro-6,7-dimethoxynaphtho(2,3-c)furan-1(3H)-one, (9aR)-4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-9,9a-dihydro-1H-benzo[f][2]benzofuran-3-one, (3aR)-9-(2H-1,3-Benzodioxol-5-yl)-6,7-dimethoxy-3a,4-dihydronaphtho[2,3-c]furan-1(3H)-one

CAS 17990-72-6Formula C21H18O6Molar mass 366.37 g/mol
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Collinusin chemical structure, C21H18O6, CAS 17990-72-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
17990-72-6
Formula
C21H18O6
Molar mass
366.37 g/mol
HS code
293220
Category
Screening compounds

What is Collinusin?

Plain description, key identifiers and synonyms

Collinusin has been reported in Cleistanthus collinus.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(9aR)-4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-9,9a-dihydro-1H-benzo[f][2]benzofuran-3-one
CAS number
17990-72-6 CAS number cross-checked
Molecular formula
C21H18O6
InChIKey
TYNZRPOBMSNIAX-ZDUSSCGKSA-N
InChI
InChI=1S/C21H18O6/c1-23-16-7-12-5-13-9-25-21(22)20(13)19(14(12)8-17(16)24-2)11-3-4-15-18(6-11)27-10-26-15/h3-4,6-8,13H,5,9-10H2,1-2H3/t13-/m0/s1
Canonical SMILES
COc1cc2c(cc1OC)C(c1ccc3c(c1)OCO3)=C1C(=O)OCC1C2
Isomeric SMILES
COC1=C(C=C2C(=C1)C[C@H]3COC(=O)C3=C2C4=CC5=C(C=C4)OCO5)OC

Synonyms

  • 9-(1,3-Benzodioxol-5-yl)-3a,4-dihydro-6,7-dimethoxynaphtho(2,3-c)furan-1(3H)-one
  • (9aR)-4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-9,9a-dihydro-1H-benzo[f][2]benzofuran-3-one
  • (3aR)-9-(2H-1,3-Benzodioxol-5-yl)-6,7-dimethoxy-3a,4-dihydronaphtho[2,3-c]furan-1(3H)-one

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
366.37 g/molcalc.
Exact mass
366.1103 Dacalc.
LogP (octanol/water)
2.96calc.
Topological polar surface area
63.22 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
3calc.
Heavy atoms
27calc.
Rings
5calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.29calc.
Formal charge
0calc.
Stereocentres
1calc.
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=C1OCC2Cc3ccccc3C(c3ccc4c(c3)OCO4)=C12

O=C1OCC2Cc3ccccc3C(c3ccc4c(c3)OCO4)=C12

5 rings, 23 atoms.

No other chemical in our database has 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.

Collinusin suppliers

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

Frequently asked questions

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

What is Collinusin?

Collinusin has been reported in Cleistanthus collinus.

What is the CAS number of Collinusin?

The CAS registry number of Collinusin is 17990-72-6.

What is the molecular formula and weight of Collinusin?

The molecular formula of Collinusin is C21H18O6 and its molar mass is 366.37 g/mol.

What is Collinusin used for?

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

Is Collinusin hazardous?

No GHS hazard classification for Collinusin 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 Collinusin?

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

Where can I buy Collinusin?

Post a free request on CompoundList and suppliers of Collinusin will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Collinusin?

Suppliers quote Collinusin 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 Collinusin

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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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