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Coenzymes and cofactors

Echinenone

Also known as all-trans-Echinenone, aphanin, myoxanthin

CAS 432-68-8Formula C40H54OMolar mass 550.87 g/molEC 207-083-4
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Echinenone chemical structure, C40H54O, CAS 432-68-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
432-68-8
Formula
C40H54O
Molar mass
550.87 g/mol
EC number
207-083-4
HS code
291429
Category
Coenzymes and cofactors

What is Echinenone?

Plain description, key identifiers and synonyms

Echinenone is a carotenone that is beta-carotene in which the 4 position has undergone formal oxidation to afford the corresponding ketone. Isolated as orange-red crystals, it is widely distributed in marine invertebrates. It has a role as a cofactor, an animal metabolite, a marine metabolite and a bacterial metabolite. It derives from a hydride of a beta-carotene.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2,4,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-one
CAS number
432-68-8 CAS number cross-checked
EC number
207-083-4
Molecular formula
C40H54O
UNII
LJ5IO02MNQ
InChIKey
QXNWZXMBUKUYMD-QQGJMDNJSA-N
InChI
InChI=1S/C40H54O/c1-30(18-13-20-32(3)23-25-36-34(5)22-15-28-39(36,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-37-35(6)38(41)27-29-40(37,9)10/h11-14,16-21,23-26H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+
Canonical SMILES
CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)CCC1(C)C
Isomeric SMILES
CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C(=O)CCC2(C)C)C)/C)/C

Synonyms

  • all-trans-Echinenone
  • aphanin
  • myoxanthin
  • 4-oxo-beta-carotene
  • 4-keto-beta-carotene
  • beta-Echinenone
  • beta,beta-Caroten-4-one
  • Echinenone (Technical Grade)
  • ss,ss-Caroten-4-one, Myxoxanthine, all-trans-Echinenone
  • Myxoxanthine
  • Echinenon
  • b,b-Caroten-4-one
  • Echinenone, all-trans-
  • Echinenone/ (Myxoxanthin)
  • Compound TNP-004859
  • Echinenone, >=95.0% (HPLC)
  • beta-Caroten-4-one, all-trans-
  • Echinenone (constituent of spirulina)
  • 2,4,4-trimethyl-3-[3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-one
  • 2-Cyclohexen-1-one, 2,4,4-trimethyl-3-[3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,3,5,7,9,11,13,15,17-octadecanonaenyl]-, (all-E)-
  • Myxoxanthin, beta-Carotene-4-one, beta-Echinenone, beta-Carotene-4-one, beta-Echinenone, Myxoxanthine

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
550.87 g/molcalc.
Exact mass
550.4175 Dacalc.
LogP (octanol/water)
11.78calc.
Topological polar surface area
17.07 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
10calc.
Heavy atoms
41calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.43calc.
Formal charge
0calc.
Stereocentres
0calc.
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=C(C=CC=CC=CC=CC=CC=CC=CC=CC=CC2=CCCCC2)CCC1

O=C1C=C(C=CC=CC=CC=CC=CC=CC=CC=CC=CC2=CCCCC2)CCC1

2 rings, 31 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.

Echinenone suppliers

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Echinenone 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

Roles

  • animal metabolite
  • bacterial metabolite
  • cofactor
  • eukaryotic metabolite
  • marine metabolite
  • metabolite
  • prokaryotic metabolite

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 Echinenone is traded under.

HS 2914.29Indicative HS code

Cyclanic, cyclenic or cycloterpenic ketones without other oxygen function, other

World exports in 2024
$1B
+6.6% vs 2023, imports $980M
2019 to 2024
Top exporters
  1. China32.5%
  2. India * partner reported12.9%
  3. Germany12.3%
Top importers
  1. United States15.7%
  2. Japan8.7%
  3. Germany8.7%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Echinenone?

Echinenone is a carotenone that is beta-carotene in which the 4 position has undergone formal oxidation to afford the corresponding ketone. Isolated as orange-red crystals, it is widely distributed in marine invertebrates. It has a role as a cofactor, an animal metabolite, a marine metabolite and a bacterial metabolite.

What is the CAS number of Echinenone?

The CAS registry number of Echinenone is 432-68-8.

What is the molecular formula and weight of Echinenone?

The molecular formula of Echinenone is C40H54O and its molar mass is 550.87 g/mol.

What is Echinenone used for?

Known uses and roles of Echinenone include animal metabolite, bacterial metabolite, cofactor, eukaryotic metabolite, marine metabolite and 2 more.

Is Echinenone hazardous?

No GHS hazard classification for Echinenone 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 Echinenone?

Echinenone is usually classified under HS code 291429 (Cyclanic, cyclenic or cycloterpenic ketones without other oxygen function, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Echinenone?

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What is the price of Echinenone?

Suppliers quote Echinenone 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 Echinenone

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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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