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Heterocyclic building blocks

3beta-Hydroxyparthenolide

Also known as (1S,2R,4R,5S,7E,11S)-5-hydroxy-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo(9.3.0.02,4)tetradec-7-en-13-one, (1S,2R,4R,5S,7E,11S)-5-hydroxy-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one

CAS 85758-38-9Formula C15H20O4Molar mass 264.32 g/mol
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3beta-Hydroxyparthenolide chemical structure, C15H20O4, CAS 85758-38-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
85758-38-9
Formula
C15H20O4
Molar mass
264.32 g/mol
HS code
293220
Category
Heterocyclic building blocks

What is 3beta-Hydroxyparthenolide?

Plain description, key identifiers and synonyms

It is functionally related to a parthenolide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S,2R,4R,5S,7E,11S)-5-hydroxy-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one
CAS number
85758-38-9
Molecular formula
C15H20O4
InChIKey
BBXAUSVGMAQCDJ-RCOKYBRUSA-N
InChI
InChI=1S/C15H20O4/c1-8-4-6-10-9(2)14(17)18-12(10)13-15(3,19-13)11(16)7-5-8/h5,10-13,16H,2,4,6-7H2,1,3H3/b8-5+/t10-,11-,12-,13+,15+/m0/s1
Canonical SMILES
C=C1C(=O)OC2C1CCC(C)=CCC(O)C1(C)OC21
Isomeric SMILES
C/C/1=C\C[C@@H]([C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C)O

Synonyms

  • (1S,2R,4R,5S,7E,11S)-5-hydroxy-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo(9.3.0.02,4)tetradec-7-en-13-one
  • (1S,2R,4R,5S,7E,11S)-5-hydroxy-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one

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
264.32 g/molcalc.
Exact mass
264.1362 Dacalc.
LogP (octanol/water)
1.73calc.
Topological polar surface area
59.06 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
0calc.
Heavy atoms
19calc.
Rings
3calc.
Aromatic rings
0calc.
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, C=C1C(=O)OC2C1CCC=CCCC1OC12

C=C1C(=O)OC2C1CCC=CCCC1OC12

3 rings, 16 atoms.

35 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.

3beta-Hydroxyparthenolide suppliers

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3beta-Hydroxyparthenolide 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 3beta-Hydroxyparthenolide is traded under.

HS 2932.20Indicative HS code

Lactones

World exports in 2024
$1.97B
−4.7% vs 2023, imports $2.07B
2019 to 2024
Top exporters
  1. China56.3%
  2. India * partner reported7.4%
  3. Germany7.3%
Top importers
  1. United States14.2%
  2. India * partner reported13.5%
  3. Brazil8.5%

* Partner reported figures, a lower bound.

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

The HS code shown for 3beta-Hydroxyparthenolide is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 3beta-Hydroxyparthenolide, based on the data on this page

What is 3beta-Hydroxyparthenolide?

It is functionally related to a parthenolide.

What is the CAS number of 3beta-Hydroxyparthenolide?

The CAS registry number of 3beta-Hydroxyparthenolide is 85758-38-9.

What is the molecular formula and weight of 3beta-Hydroxyparthenolide?

The molecular formula of 3beta-Hydroxyparthenolide is C15H20O4 and its molar mass is 264.32 g/mol.

What is 3beta-Hydroxyparthenolide used for?

Known uses and roles of 3beta-Hydroxyparthenolide include building blocks in research and laboratory and screening compounds in research and laboratory.

Is 3beta-Hydroxyparthenolide hazardous?

No GHS hazard classification for 3beta-Hydroxyparthenolide 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 3beta-Hydroxyparthenolide?

3beta-Hydroxyparthenolide is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 3beta-Hydroxyparthenolide?

Post a free request on CompoundList and suppliers of 3beta-Hydroxyparthenolide will send you quotes. Your contact details stay private until you accept a quote.

What is the price of 3beta-Hydroxyparthenolide?

Suppliers quote 3beta-Hydroxyparthenolide 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 3beta-Hydroxyparthenolide

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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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