CompoundList
Sign in
Screening compounds

Margolonone

Also known as (4bS,8aR)-3,4b,8,8-tetramethyl-7,10-dioxo-5,6,8a,9-tetrahydrophenanthrene-2-carboxylic Acid, 12-methyl-3,7-dioxopodocarpa-8,11,13-triene-13-carboxylic acid, 2-Phenanthrenecarboxylic acid, 4b,5,6,7,8,8a,9,10-octahydro-3,4b,8,8- tetramethyl-7,10-dioxo-, (4bS-trans)-

CAS 120092-49-1Formula C19H22O4Molar mass 314.38 g/mol
Get quotes Safety data
Margolonone chemical structure, C19H22O4, CAS 120092-49-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
120092-49-1
Formula
C19H22O4
Molar mass
314.38 g/mol
HS code
291830
Category
Screening compounds

What is Margolonone?

Plain description, key identifiers and synonyms

Margolonone has been reported in Azadirachta indica.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4bS,8aR)-3,4b,8,8-tetramethyl-7,10-dioxo-5,6,8a,9-tetrahydrophenanthrene-2-carboxylic acid
CAS number
120092-49-1 CAS number cross-checked
Molecular formula
C19H22O4
InChIKey
NWRPENOOCXAGDV-HNAYVOBHSA-N
InChI
InChI=1S/C19H22O4/c1-10-7-13-12(8-11(10)17(22)23)14(20)9-15-18(2,3)16(21)5-6-19(13,15)4/h7-8,15H,5-6,9H2,1-4H3,(H,22,23)/t15-,19+/m0/s1
Canonical SMILES
Cc1cc2c(cc1C(=O)O)C(=O)CC1C(C)(C)C(=O)CCC21C
Isomeric SMILES
CC1=CC2=C(C=C1C(=O)O)C(=O)C[C@@H]3[C@@]2(CCC(=O)C3(C)C)C

Synonyms

  • (4bS,8aR)-3,4b,8,8-tetramethyl-7,10-dioxo-5,6,8a,9-tetrahydrophenanthrene-2-carboxylic Acid
  • 12-methyl-3,7-dioxopodocarpa-8,11,13-triene-13-carboxylic acid
  • 2-Phenanthrenecarboxylic acid, 4b,5,6,7,8,8a,9,10-octahydro-3,4b,8,8- tetramethyl-7,10-dioxo-, (4bS-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
314.38 g/molcalc.
Exact mass
314.1518 Dacalc.
LogP (octanol/water)
3.54calc.
Topological polar surface area
71.44 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
1calc.
Heavy atoms
23calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.53calc.
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=C1CCC2c3ccccc3C(=O)CC2C1

O=C1CCC2c3ccccc3C(=O)CC2C1

3 rings, 16 atoms.

8 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.

Margolonone suppliers

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

No supplier listings yet

Post one free request and suppliers who make or trade Margolonone can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Margolonone price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

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 Margolonone is traded under.

HS 2918.30Indicative HS code

Carboxylic acids with aldehyde or ketone function but without other oxygen function…

World exports in 2024
$813M
−39.8% vs 2023, imports $1.23B
2019 to 2024
Top exporters
  1. China43.3%
  2. India * partner reported10.4%
  3. United States6.8%
Top importers
  1. Singapore33.1%
  2. Germany7.2%
  3. Japan6.9%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Margolonone?

Margolonone has been reported in Azadirachta indica.

What is the CAS number of Margolonone?

The CAS registry number of Margolonone is 120092-49-1.

What is the molecular formula and weight of Margolonone?

The molecular formula of Margolonone is C19H22O4 and its molar mass is 314.38 g/mol.

What is Margolonone used for?

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

Is Margolonone hazardous?

No GHS hazard classification for Margolonone 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 Margolonone?

Margolonone is usually classified under HS code 291830 (Carboxylic acids with aldehyde or ketone function but without other oxygen function…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Margolonone?

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

What is the price of Margolonone?

Suppliers quote Margolonone 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 Margolonone

Get quotes for Margolonone

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Margolonone
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Margolonone with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/margolonone-120092-49-1" title="Margolonone structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Screening compounds or HS code 291830

Price on request
Free quotes, contact stays private
Get quotes