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Aliphatic and alicyclic building blocks

Marneral

Also known as 3-{(1S,2R,3R)-2,3-dimethyl-6-(propan-2-ylidene)-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]cyclohexyl}propanal, 3-((1S,2R,3R)-2,3-dimethyl-6-(propan-2-ylidene)-2-((3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl)cyclohexyl)propanal, (+)-marneral

CAS 883718-04-5Formula C30H50OMolar mass 426.73 g/mol
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Marneral chemical structure, C30H50O, CAS 883718-04-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
883718-04-5
Formula
C30H50O
Molar mass
426.73 g/mol
HS code
291229
Category
Aliphatic and alicyclic building blocks

What is Marneral?

Plain description, key identifiers and synonyms

Marneral is a triterpenoid and aldehyde that is 3-cyclohexylpropanal in which the cyclohexyl group is substituted by methyl groups at positions 2 and 3, by an (E,E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl group at position 2, and by a propan-2-ylidene group at position 6 (the 1S,2R,3R-enantiomer). It is an aldehyde and a triterpenoid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-[(1S,2R,3R)-2,3-dimethyl-6-propan-2-ylidene-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]cyclohexyl]propanal
CAS number
883718-04-5
Molecular formula
C30H50O
InChIKey
VNBRFEUEYRHQBM-OPEBEUCHSA-N
InChI
InChI=1S/C30H50O/c1-23(2)13-9-14-25(5)15-10-16-26(6)17-11-21-30(8)27(7)19-20-28(24(3)4)29(30)18-12-22-31/h13,15,17,22,27,29H,9-12,14,16,18-21H2,1-8H3/b25-15+,26-17+/t27-,29-,30-/m1/s1
SMILES
C[C@@H]1CCC(=C(C)C)[C@H]([C@]1(C)CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CCC=O

Synonyms

  • 3-{(1S,2R,3R)-2,3-dimethyl-6-(propan-2-ylidene)-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]cyclohexyl}propanal
  • 3-((1S,2R,3R)-2,3-dimethyl-6-(propan-2-ylidene)-2-((3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl)cyclohexyl)propanal
  • (+)-marneral
  • 3-[(1S,2R,3R)-2,3-dimethyl-6-propan-2-ylidene-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]cyclohexyl]propanal

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
426.73 g/molcalc.
Exact mass
426.3862 Dacalc.
LogP (octanol/water)
9.55calc.
Topological polar surface area
17.07 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
12calc.
Heavy atoms
31calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.7calc.
Formal charge
0calc.
Stereocentres
3calc.
Lipinski rule of five
Passes (1 violation)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, C=C1CCCCC1

C=C1CCCCC1

1 ring, 7 atoms, the Methylenecyclohexane ring system.

761 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.

Marneral suppliers

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Marneral 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 Marneral is traded under.

HS 2912.29Indicative HS code

Cyclic aldehydes without other oxygen function, other

World exports in 2024
$435M
+19.0% vs 2023, imports $484M
2019 to 2024
Top exporters
  1. China19.5%
  2. Japan17.4%
  3. India * partner reported13.0%
Top importers
  1. United States22.5%
  2. China9.2%
  3. Singapore8.4%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Marneral?

Marneral is a triterpenoid and aldehyde that is 3-cyclohexylpropanal in which the cyclohexyl group is substituted by methyl groups at positions 2 and 3, by an (E,E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl group at position 2, and by a propan-2-ylidene group at position 6 (the 1S,2R,3R-enantiomer).

What is the CAS number of Marneral?

The CAS registry number of Marneral is 883718-04-5.

What is the molecular formula and weight of Marneral?

The molecular formula of Marneral is C30H50O and its molar mass is 426.73 g/mol.

What is Marneral used for?

Known uses and roles of Marneral include building blocks in research and laboratory.

Is Marneral hazardous?

No GHS hazard classification for Marneral 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 Marneral?

Marneral is usually classified under HS code 291229 (Cyclic aldehydes without other oxygen function, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Marneral?

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What is the price of Marneral?

Suppliers quote Marneral 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 Marneral

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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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