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Screening compounds

Methyl 2alpha-hydroxyhardwickiate

Also known as Methyl 2|A-hydroxyhardwickiate, methyl (3R,4aR,5S,6R,8aR)-5-[2-(furan-3-yl)ethyl]-3-hydroxy-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylate, Methyl 2-hydroxyhardwickiate

CAS 50428-93-8Formula C21H30O4Molar mass 346.47 g/mol
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Methyl 2alpha-hydroxyhardwickiate chemical structure, C21H30O4, CAS 50428-93-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
50428-93-8
Formula
C21H30O4
Molar mass
346.47 g/mol
HS code
293219
Category
Screening compounds

What is Methyl 2alpha-hydroxyhardwickiate?

Plain description, key identifiers and synonyms

Methyl 2alpha-hydroxyhardwickiate has been reported in Dodonaea viscosa.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl (3R,4aR,5S,6R,8aR)-5-[2-(furan-3-yl)ethyl]-3-hydroxy-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylate
CAS number
50428-93-8
Molecular formula
C21H30O4
InChIKey
JSKOGQSOLMLOJZ-SIPBKJAZSA-N
InChI
InChI=1S/C21H30O4/c1-14-5-8-21(3)17(19(23)24-4)11-16(22)12-18(21)20(14,2)9-6-15-7-10-25-13-15/h7,10-11,13-14,16,18,22H,5-6,8-9,12H2,1-4H3/t14-,16+,18-,20+,21+/m1/s1
Canonical SMILES
COC(=O)C1=CC(O)CC2C1(C)CCC(C)C2(C)CCc1ccoc1
Isomeric SMILES
C[C@@H]1CC[C@@]2([C@@H]([C@@]1(C)CCC3=COC=C3)C[C@H](C=C2C(=O)OC)O)C

Synonyms

  • Methyl 2|A-hydroxyhardwickiate
  • methyl (3R,4aR,5S,6R,8aR)-5-[2-(furan-3-yl)ethyl]-3-hydroxy-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylate
  • Methyl 2-hydroxyhardwickiate
  • Methyl (3R,4aR,5S,6R,8aR)-5-(2-(furan-3-yl)ethyl)-3-hydroxy-5,6,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylate

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
346.47 g/molcalc.
Exact mass
346.2144 Dacalc.
LogP (octanol/water)
4.13calc.
Topological polar surface area
59.67 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
4calc.
Heavy atoms
25calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.67calc.
Formal charge
0calc.
Stereocentres
5calc.
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, C1=CC2CCCC(CCc3ccoc3)C2CC1

C1=CC2CCCC(CCc3ccoc3)C2CC1

3 rings, 17 atoms.

10 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.

Methyl 2alpha-hydroxyhardwickiate suppliers

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Methyl 2alpha-hydroxyhardwickiate 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 Methyl 2alpha-hydroxyhardwickiate is traded under.

HS 2932.19Indicative HS code

Compounds containing an unfused furan ring (whether or not hydrogenated) in the…

World exports in 2024
$2.62B
−6.4% vs 2023, imports $2.56B
2019 to 2024
Top exporters
  1. Germany57.9%
  2. Italy11.5%
  3. China10.4%
Top importers
  1. Greece40.4%
  2. Japan16.3%
  3. Germany12.8%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Methyl 2alpha-hydroxyhardwickiate is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Methyl 2alpha-hydroxyhardwickiate, based on the data on this page

What is Methyl 2alpha-hydroxyhardwickiate?

Methyl 2alpha-hydroxyhardwickiate has been reported in Dodonaea viscosa.

What is the CAS number of Methyl 2alpha-hydroxyhardwickiate?

The CAS registry number of Methyl 2alpha-hydroxyhardwickiate is 50428-93-8.

What is the molecular formula and weight of Methyl 2alpha-hydroxyhardwickiate?

The molecular formula of Methyl 2alpha-hydroxyhardwickiate is C21H30O4 and its molar mass is 346.47 g/mol.

What is Methyl 2alpha-hydroxyhardwickiate used for?

Known uses and roles of Methyl 2alpha-hydroxyhardwickiate include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Methyl 2alpha-hydroxyhardwickiate hazardous?

No GHS hazard classification for Methyl 2alpha-hydroxyhardwickiate 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 Methyl 2alpha-hydroxyhardwickiate?

Methyl 2alpha-hydroxyhardwickiate is usually classified under HS code 293219 (Compounds containing an unfused furan ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Methyl 2alpha-hydroxyhardwickiate?

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What is the price of Methyl 2alpha-hydroxyhardwickiate?

Suppliers quote Methyl 2alpha-hydroxyhardwickiate 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 Methyl 2alpha-hydroxyhardwickiate

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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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