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Screening compounds

Capsanthone

Also known as (3R,5'R)-3-Hydroxy-beta,kappa-carotene-3',6'-dione

CAS 28368-01-6Formula C40H54O3Molar mass 582.87 g/mol
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Capsanthone chemical structure, C40H54O3, CAS 28368-01-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
28368-01-6
Formula
C40H54O3
Molar mass
582.87 g/mol
HS code
291440
Category
Screening compounds

What is Capsanthone?

Plain description, key identifiers and synonyms

Capsanthone is a xanthophyll.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3R)-3-[(2E,4E,6E,8E,10E,12E,14E,16E,18E)-19-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaenoyl]-3,4,4-trimethylcyclopentan-1-one
CAS number
28368-01-6
Molecular formula
C40H54O3
InChIKey
RSVFJNWBMXVMGE-LXQXRHSASA-N
InChI
InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-23-36-33(5)25-34(41)26-38(36,6)7)15-11-12-16-30(2)18-14-20-32(4)22-24-37(43)40(10)28-35(42)27-39(40,8)9/h11-24,34,41H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t34-,40+/m1/s1
Canonical SMILES
CC(C=CC=C(C)C=CC(=O)C1(C)CC(=O)CC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C
Isomeric SMILES
CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(=O)[C@@]2(CC(=O)CC2(C)C)C)/C)/C

Synonyms

  • (3R,5'R)-3-Hydroxy-beta,kappa-carotene-3',6'-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
582.87 g/molcalc.
Exact mass
582.4073 Dacalc.
LogP (octanol/water)
10.01calc.
Topological polar surface area
54.37 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
11calc.
Heavy atoms
43calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.45calc.
Formal charge
0calc.
Stereocentres
2calc.
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=C1CCC(C(=O)C=CC=CC=CC=CC=CC=CC=CC=CC=CC2=CCCCC2)C1

O=C1CCC(C(=O)C=CC=CC=CC=CC=CC=CC=CC=CC=CC2=CCCCC2)C1

2 rings, 32 atoms.

1 other chemical 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.

Capsanthone suppliers

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

Frequently asked questions

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

What is Capsanthone?

Capsanthone is a xanthophyll.

What is the CAS number of Capsanthone?

The CAS registry number of Capsanthone is 28368-01-6.

What is the molecular formula and weight of Capsanthone?

The molecular formula of Capsanthone is C40H54O3 and its molar mass is 582.87 g/mol.

What is Capsanthone used for?

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

Is Capsanthone hazardous?

No GHS hazard classification for Capsanthone 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 Capsanthone?

Capsanthone 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 Capsanthone?

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

What is the price of Capsanthone?

Suppliers quote Capsanthone 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 Capsanthone

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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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