CompoundList
Sign in
Screening compounds

Eschscholtzxanthone

Also known as (3'S)-3'-Hydroxy-4',5'-didehydro-4,5'-retro-beta,beta-caroten-3-one

CAS 3484-59-1Formula C40H52O2Molar mass 564.85 g/mol
Get quotes Safety data
Eschscholtzxanthone chemical structure, C40H52O2, CAS 3484-59-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
3484-59-1
Formula
C40H52O2
Molar mass
564.85 g/mol
HS code
291440
Category
Screening compounds

What is Eschscholtzxanthone?

Plain description, key identifiers and synonyms

Eschscholtzxanthone is an organic molecular entity.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4Z)-4-[(2E,4E,6E,8E,10E,12E,14E,16E,18Z)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-ylidene]-3,7,12,16-tetramethyloctadeca-2,4,6,8,10,12,14,16-octaenylidene]-3,5,5-trimethylcyclohex-2-en-1-one
CAS number
3484-59-1
Molecular formula
C40H52O2
InChIKey
GDALYDGIVMUXTI-AKBIDAKBSA-N
InChI
InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-26,35,41H,27-28H2,1-10H3/b15-11+,16-12+,19-13+,20-14+,29-17+,30-18+,31-21+,32-22+,37-23+,38-24+/t35-/m1/s1
Canonical SMILES
CC(C=CC=CC(C)=CC=CC(C)=CC=C1C(C)=CC(O)CC1(C)C)=CC=CC(C)=CC=C1C(C)=CC(=O)CC1(C)C
Isomeric SMILES
CC\1=C[C@H](CC(/C1=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C/C(=C/C=C/C(=C/C=C/2\C(=CC(=O)CC2(C)C)C)/C)/C)(C)C)O

Synonyms

  • (3'S)-3'-Hydroxy-4',5'-didehydro-4,5'-retro-beta,beta-caroten-3-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
564.85 g/molcalc.
Exact mass
564.3967 Dacalc.
LogP (octanol/water)
10.53calc.
Topological polar surface area
37.3 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
9calc.
Heavy atoms
42calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.38calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Fails (2 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=C1C=CC(=CC=CC=CC=CC=CC=CC=CC=CC=CC=C2C=CCCC2)CC1

O=C1C=CC(=CC=CC=CC=CC=CC=CC=CC=CC=CC=C2C=CCCC2)CC1

2 rings, 31 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.

Eschscholtzxanthone 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 Eschscholtzxanthone can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Eschscholtzxanthone 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 Eschscholtzxanthone is traded under.

HS 2914.40Indicative HS code

Ketone-alcohols and ketone-aldehydes

World exports in 2024
$199M
+2.5% vs 2023, imports $247M
2019 to 2024
Top exporters
  1. China29.5%
  2. Germany14.4%
  3. Netherlands12.7%
Top importers
  1. United States37.2%
  2. Netherlands8.5%
  3. Germany6.4%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Eschscholtzxanthone?

Eschscholtzxanthone is an organic molecular entity.

What is the CAS number of Eschscholtzxanthone?

The CAS registry number of Eschscholtzxanthone is 3484-59-1.

What is the molecular formula and weight of Eschscholtzxanthone?

The molecular formula of Eschscholtzxanthone is C40H52O2 and its molar mass is 564.85 g/mol.

What is Eschscholtzxanthone used for?

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

Is Eschscholtzxanthone hazardous?

No GHS hazard classification for Eschscholtzxanthone 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 Eschscholtzxanthone?

Eschscholtzxanthone is usually classified under HS code 291440 (Ketone-alcohols and ketone-aldehydes). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Eschscholtzxanthone?

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

What is the price of Eschscholtzxanthone?

Suppliers quote Eschscholtzxanthone 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 Eschscholtzxanthone

Get quotes for Eschscholtzxanthone

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Eschscholtzxanthone
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 Eschscholtzxanthone 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/eschscholtzxanthone-3484-59-1" title="Eschscholtzxanthone 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 291440

Price on request
Free quotes, contact stays private
Get quotes