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Steroids and sterols

Withaferin A

Also known as Withaferine A, Withaferin deriv jpr, iowa u. compound, 4beta,27-dihydroxy-1-oxo-5beta,6beta-epoxywitha-2,24-dienolide

CAS 5119-48-2Formula C28H38O6Molar mass 470.61 g/mol
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Withaferin A chemical structure, C28H38O6, CAS 5119-48-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
5119-48-2
Formula
C28H38O6
Molar mass
470.61 g/mol
HS code
293220
Category
Steroids and sterols

What is Withaferin A?

Plain description, key identifiers and synonyms

Withaferin A is a withanolide that is 5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione substituted by hydroxy groups at positions 4 and 27 (the 4beta,5beta,6beta,22R stereoisomer). Isolated from Physalis longifolia, it exhibits cytotoxic activity. It has a role as an antineoplastic agent and an apoptosis inducer. It is an epoxy steroid, a primary alcohol, a delta-lactone, a secondary alcohol, a 27-hydroxy steroid, an ergostanoid, an enone, a 4-hydroxy steroid and a withanolide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S,2R,6S,7R,9R,11S,12S,15R,16S)-6-hydroxy-15-[(1S)-1-[(2R)-5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one
CAS number
5119-48-2 CAS number cross-checked
Molecular formula
C28H38O6
UNII
L6DO3QW4K5
MDL number
MFCD10687098
InChIKey
DBRXOUCRJQVYJQ-CKNDUULBSA-N
InChI
InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1
Canonical SMILES
CC1=C(CO)C(=O)OC(C(C)C2CCC3C4CC5OC56C(O)C=CC(=O)C6(C)C4CCC23C)C1
Isomeric SMILES
CC1=C(C(=O)O[C@H](C1)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3C[C@@H]5[C@]6([C@@]4(C(=O)C=C[C@@H]6O)C)O5)C)CO

Synonyms

  • Withaferine A
  • Withaferin deriv jpr, iowa u. compound
  • 4beta,27-dihydroxy-1-oxo-5beta,6beta-epoxywitha-2,24-dienolide
  • (4beta,5beta,6beta,22R)-4,27-dihydroxy-5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione
  • 5,6-epoxy-4,22,27-trihydroxy-1-oxoergosta-2,24-dienoic acid delta-lactone
  • (4 beta,5 beta,6 beta,22R)-5,6-epoxy-4,22,27-trihydroxy-1-oxoergosta-2,24-dien-26-oic acid, delta-lactone
  • (6S,7R,9R)-6-Hydroxy-15-[(2R,3R)-3-hydroxy-4-(4-methyl-5-oxo-2H-furan-3-yl)butan-2-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one
  • 5beta-Ergosta-2, 5,6beta-epoxy-4beta,22,27-trihydroxy-1-oxo-, delta-lactone, (20S,22R)-
  • Ergosta-2, 5,6-epoxy-4,22,27-trihydroxy-1-oxo-, delta-lactone, (4beta,5beta,6beta,22R)-
  • Withaferin A (Standard)
  • 5-19-06-00604 (Beilstein Handbook Reference)
  • Withaferin A, analytical standard
  • Withaferin A, >=95% (HPLC)
  • (4beta,5beta,6beta,22R)-5,6-Epoxy-4,22,27-trihydroxy-1-oxoergosta-2,24-dien-26-oic acid, delta-lactone
  • 5-beta-Ergosta-2,24-dien-26-oic acid, 5,6-beta-epoxy-4-beta,22,27-trihydroxy-1-oxo-, delta-lactone, (20S,22R)-
  • 5beta-Ergosta-2,24-dien-26-oic acid, 5,6beta-epoxy-4beta,22,27-trihydroxy-1-oxo-, delta-lactone, (20S,22R)-
  • Ergosta-2,24-dien-26-oic acid, 5,6-epoxy-4,22,27-trihydroxy-1-oxo-, gamma-lactone, (4bta,5beta,6beta,22R)-
  • Withaferin A 100 |Ig/mL in Acetonitrile
  • Withaferin A 100 microg/mL in Acetonitrile
  • 5,6-Epoxy-4,27-dihydroxy-1-oxowitha-2 ,24-dienolide
  • (22R)-4beta,27-Dihydroxy-5beta,6beta-5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione
  • (4?,5?,6?,22R)-4,27-Dihydroxy-5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione
  • 5beta,6beta:22R,26-diepoxyergosta-4beta,27-dihydroxy-2,24-diene-1,26-dione
  • (4b,5b,6b,22R)-5,6-Epoxy-4,22,27-trihydroxy-1-oxoergosta-2 ,24-dien-26-oic acid d-lactone
  • (4beta, 5beta, 6beta, 22R)-5,6-Epoxy-4,22,27-trihydroxy-1-oxoergosta-2,24-dien-26-oic acid delta-lactone
Show all 26 synonyms
  • Withaferine A, NSC101088, NSC 273757, WITHAFERIN DERIV JPR, IOWA U. COMPOUND, NSC-101088

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
470.61 g/molcalc.
Exact mass
470.2668 Dacalc.
LogP (octanol/water)
3.35calc.
Topological polar surface area
96.36 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
3calc.
Heavy atoms
34calc.
Rings
6calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.79calc.
Formal charge
0calc.
Stereocentres
11calc.
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, O=C1C=CCC(CC2CCC3C2CCC2C3CC3OC34CC=CC(=O)C24)O1

O=C1C=CCC(CC2CCC3C2CCC2C3CC3OC34CC=CC(=O)C24)O1

6 rings, 27 atoms.

31 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.

Withaferin A suppliers

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Where suppliers are based

9 suppliers in 4 countries

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Withaferin A 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

  • antineoplastic agent
  • apoptosis inducer
  • pharmaceutical

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 Withaferin A 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 Withaferin A is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Withaferin A, based on the data on this page

What is Withaferin A?

Withaferin A is a withanolide that is 5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione substituted by hydroxy groups at positions 4 and 27 (the 4beta,5beta,6beta,22R stereoisomer). Isolated from Physalis longifolia, it exhibits cytotoxic activity. It has a role as an antineoplastic agent and an apoptosis inducer.

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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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