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Screening compounds

Azorellanol

Also known as ((1R,2R,5R,6R,8S,9S,12R,13R)-12-hydroxy-6,9,12-trimethyl-5-propan-2-yl-8-tetracyclo(7.5.0.01,13.02,6)tetradecanyl) acetate, [(1R,2R,5R,6R,8S,9S,12R,13R)-12-hydroxy-6,9,12-trimethyl-5-propan-2-yl-8-tetracyclo[7.5.0.01,13.02,6]tetradecanyl] acetate, (hydroxy-isopropyl-trimethyl-[?]yl) acetate

CAS 220079-07-2Formula C22H36O3Molar mass 348.53 g/mol
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Azorellanol chemical structure, C22H36O3, CAS 220079-07-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
220079-07-2
Formula
C22H36O3
Molar mass
348.53 g/mol
HS code
291539
Category
Screening compounds

What is Azorellanol?

Plain description, key identifiers and synonyms

Azorellanol has been reported in Azorella compacta and Azorella ruizii.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1R,2R,5R,6R,8S,9S,12R,13R)-12-hydroxy-6,9,12-trimethyl-5-propan-2-yl-8-tetracyclo[7.5.0.01,13.02,6]tetradecanyl] acetate
CAS number
220079-07-2
Molecular formula
C22H36O3
InChIKey
KLONPCIQOJGNBV-NBWOUMIXSA-N
InChI
InChI=1S/C22H36O3/c1-13(2)15-7-8-16-19(15,4)12-18(25-14(3)23)20(5)9-10-21(6,24)17-11-22(16,17)20/h13,15-18,24H,7-12H2,1-6H3/t15-,16-,17+,18+,19-,20-,21-,22-/m1/s1
Canonical SMILES
CC(=O)OC1CC2(C)C(C(C)C)CCC2C23CC2C(C)(O)CCC13C
Isomeric SMILES
CC(C)[C@H]1CC[C@@H]2[C@@]1(C[C@@H]([C@@]3([C@]24C[C@H]4[C@](CC3)(C)O)C)OC(=O)C)C

Synonyms

  • ((1R,2R,5R,6R,8S,9S,12R,13R)-12-hydroxy-6,9,12-trimethyl-5-propan-2-yl-8-tetracyclo(7.5.0.01,13.02,6)tetradecanyl) acetate
  • [(1R,2R,5R,6R,8S,9S,12R,13R)-12-hydroxy-6,9,12-trimethyl-5-propan-2-yl-8-tetracyclo[7.5.0.01,13.02,6]tetradecanyl] acetate
  • (hydroxy-isopropyl-trimethyl-[?]yl) acetate
  • 1H-Cyclopenta[a]cyclopropa[i]naphthalene-5,8-diol, dodecahydro-5,7a,9a-trimethyl-1-(1-methylethyl)-, 8-acetate, (1R,3aR,4aR,5R,7aS,8S,9aR)-

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
348.53 g/molcalc.
Exact mass
348.2664 Dacalc.
LogP (octanol/water)
4.57calc.
Topological polar surface area
46.53 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
2calc.
Heavy atoms
25calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.96calc.
Formal charge
0calc.
Stereocentres
8calc.
Lipinski rule of five
Passes (0 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, C1CC2CCC3CCCC3C23CC3C1

C1CC2CCC3CCCC3C23CC3C1

4 rings, 14 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.

Azorellanol suppliers

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No supplier listings yet

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Azorellanol 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 Azorellanol is traded under.

HS 2915.39Indicative HS code

Esters of acetic acid, other

World exports in 2024
$2.03B
+7.9% vs 2023, imports $1.95B
2019 to 2024
Top exporters
  1. China58.0%
  2. United States7.3%
  3. Germany6.5%
Top importers
  1. Singapore15.6%
  2. South Korea7.2%
  3. Indonesia6.9%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Azorellanol?

Azorellanol has been reported in Azorella compacta and Azorella ruizii.

What is the CAS number of Azorellanol?

The CAS registry number of Azorellanol is 220079-07-2.

What is the molecular formula and weight of Azorellanol?

The molecular formula of Azorellanol is C22H36O3 and its molar mass is 348.53 g/mol.

What is Azorellanol used for?

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

Is Azorellanol hazardous?

No GHS hazard classification for Azorellanol 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 Azorellanol?

Azorellanol is usually classified under HS code 291539 (Esters of acetic acid, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Azorellanol?

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

What is the price of Azorellanol?

Suppliers quote Azorellanol 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 Azorellanol

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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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