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Aliphatic and alicyclic building blocks

Spheroidenone

Also known as spheroiden-2-one, (4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,26E)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,16,18,20,22,26,30-dodecaen-3-one, Spherodenon

CAS 13836-70-9Formula C41H58O2Molar mass 582.91 g/mol
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Spheroidenone chemical structure, C41H58O2, CAS 13836-70-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
13836-70-9
Formula
C41H58O2
Molar mass
582.91 g/mol
HS code
291450
Category
Aliphatic and alicyclic building blocks

What is Spheroidenone?

Plain description, key identifiers and synonyms

Spheroiden-2-one is the carotenone that is the 2-oxo derivative of (3E)-1-methoxy-3,4-didehydro-1,2,7',8'-tetrahydro-,-carotene. It has a role as a bacterial metabolite.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,26E)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,16,18,20,22,26,30-dodecaen-3-one
CAS number
13836-70-9
Molecular formula
C41H58O2
InChIKey
ZQFURSYWJPLAJR-FZFXUSNISA-N
InChI
InChI=1S/C41H58O2/c1-33(2)19-14-22-36(5)25-17-28-37(6)26-15-23-34(3)20-12-13-21-35(4)24-16-27-38(7)29-18-30-39(8)31-32-40(42)41(9,10)43-11/h12-13,15-16,18-21,23-27,29-32H,14,17,22,28H2,1-11H3/b13-12+,23-15+,24-16+,29-18+,32-31+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+
Canonical SMILES
COC(C)(C)C(=O)C=CC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C
Isomeric SMILES
CC(=CCC/C(=C/CC/C(=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(C)(C)OC)/C)/C)/C)C

Synonyms

  • spheroiden-2-one
  • (4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,26E)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,16,18,20,22,26,30-dodecaen-3-one
  • Spherodenon
  • Spheroidenone, all-trans-
  • all-trans-spheroiden-2-one
  • 1-Methoxy-3,4-didehydro-1,2,7',8'-tetrahydro-psi,psi-caroten-2-one
  • psi,psi-Carotene, 3,4-didehydro-1,2,7',8'-tetrahydro-1-methoxy-2-oxo-
  • Lycopene, 3,4-didehydro-1,2,7',8'-tetrahydro-1-methoxy-2-oxo-, all-trans-
  • (3E)-3,4-Didehydro-1,2,7',8'-tetrahydro-psi,psi-carotene #
  • 3,4-Didehydro-1,2,7?,8?-tetrahydro-1-methoxy-2-oxo-?,?-carotene
  • (3E)-1-methoxy-3,4-didehydro-1,2,7',8'-tetrahydro-psi,psi-caroten-2-one
  • 3,4-didehydro-1,2,7',8-tetrahydro-1-methoxy-2-oxo-psi,psi-carotene
  • psi,psi-Carotene, 3,4-didehydro-1,2,7',8-tetrahydro-1-methoxy-2-oxo-

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
582.91 g/molcalc.
Exact mass
582.4437 Dacalc.
LogP (octanol/water)
11.97calc.
Topological polar surface area
26.3 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
18calc.
Heavy atoms
43calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.39calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Fails (2 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

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.

Spheroidenone suppliers

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Spheroidenone 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

  • bacterial 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 Spheroidenone is traded under.

HS 2914.50Indicative HS code

Ketone-phenols and ketones with other oxygen function

World exports in 2024
$438M
+10.9% vs 2023, imports $420M
2019 to 2024
Top exporters
  1. China50.5%
  2. India * partner reported11.6%
  3. United States11.3%
Top importers
  1. United States20.8%
  2. Germany10.0%
  3. Netherlands8.6%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Spheroidenone?

Spheroiden-2-one is the carotenone that is the 2-oxo derivative of (3E)-1-methoxy-3,4-didehydro-1,2,7',8'-tetrahydro-,-carotene. It has a role as a bacterial metabolite.

What is the CAS number of Spheroidenone?

The CAS registry number of Spheroidenone is 13836-70-9.

What is the molecular formula and weight of Spheroidenone?

The molecular formula of Spheroidenone is C41H58O2 and its molar mass is 582.91 g/mol.

What is Spheroidenone used for?

Known uses and roles of Spheroidenone include building blocks in research and laboratory, bacterial metabolite, metabolite and prokaryotic metabolite.

Is Spheroidenone hazardous?

No GHS hazard classification for Spheroidenone 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 Spheroidenone?

Spheroidenone is usually classified under HS code 291450 (Ketone-phenols and ketones with other oxygen function). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Spheroidenone?

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

What is the price of Spheroidenone?

Suppliers quote Spheroidenone 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 Spheroidenone

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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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