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Screening compounds

Npc37409

Also known as Isocolumbin, Columbin [M+H]+, C.A.S. 471,545

CAS 471-54-5Formula C20H22O6Molar mass 358.39 g/mol
1 supplier listed
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Npc37409 chemical structure, C20H22O6, CAS 471-54-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
471-54-5
Formula
C20H22O6
Molar mass
358.39 g/mol
HS code
293220
Category
Screening compounds

What is Npc37409?

Plain description, key identifiers and synonyms

Isocolumbin has been reported in Penianthus zenkeri.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.02,11.03,8]hexadec-15-ene-7,13-dione
CAS number
471-54-5Other or deprecated CAS: 857221-67-1
Molecular formula
C20H22O6
MDL number
MFCD02682936
InChIKey
AALLCALQGXXWNA-UHFFFAOYSA-N
InChI
InChI=1S/C20H22O6/c1-18-9-14(11-5-8-24-10-11)25-16(21)12(18)3-6-19(2)15(18)13-4-7-20(19,23)17(22)26-13/h4-5,7-8,10,12-15,23H,3,6,9H2,1-2H3
SMILES (canonical and isomeric)
CC12CCC3C(=O)OC(CC3(C1C4C=CC2(C(=O)O4)O)C)C5=COC=C5

Synonyms

  • Isocolumbin
  • Columbin [M+H]+
  • C.A.S. 471,545
  • 17,18-Dinor-8betaH,9betaH,10alpha-labda-2,13(16),14-triene-19,20-dioic acid, 15,16-epoxy-1beta,4,12-trihydroxy-5,9-dimethyl-, 19,1:20,12-dilactone
  • 5-(3-furyl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.02,11.03,8]hexadec-15-ene-7,13-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
358.39 g/molcalc.
Exact mass
358.1416 Dacalc.
LogP (octanol/water)
2.53calc.
Topological polar surface area
85.97 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
1calc.
Heavy atoms
26calc.
Rings
6calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.6calc.
Formal charge
0calc.
Stereocentres
7calc.
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=C1OC2C=CC1C1CCC3C(=O)OC(c4ccoc4)CC3C21

O=C1OC2C=CC1C1CCC3C(=O)OC(c4ccoc4)CC3C21

6 rings, 23 atoms.

6 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.

Npc37409 suppliers

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Where suppliers are based

1 supplier in 1 country

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Npc37409 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 Npc37409 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 Npc37409 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Npc37409, based on the data on this page

What is Npc37409?

Isocolumbin has been reported in Penianthus zenkeri.

What is the CAS number of Npc37409?

The CAS registry number of Npc37409 is 471-54-5. Other or deprecated CAS numbers: 857221-67-1.

What is the molecular formula and weight of Npc37409?

The molecular formula of Npc37409 is C20H22O6 and its molar mass is 358.39 g/mol.

What is Npc37409 used for?

Known uses and roles of Npc37409 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Npc37409 hazardous?

No GHS hazard classification for Npc37409 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 Npc37409?

Npc37409 is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Npc37409?

CompoundList lists 1 supplier of Npc37409 in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Npc37409?

Suppliers quote Npc37409 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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