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Steroids and sterols

Withanolide D

Also known as 5,6-Epoxy-4,20,22-trihydroxy-1-oxoergosta-2,24-dien-26-oic acid delta-lactone, (4 beta,5 beta,6 beta,22R)-5,6-epoxy-4,20,22-trihydroxy-1-oxoergosta-2,24-dien-26-oic acid, delta-lactone, Withania somnifera

CAS 30655-48-2Formula C28H38O6Molar mass 470.61 g/molEC 801-668-3
GHS signal word: Warning. Pictograms: Harmful or irritant 1 supplier listed
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Withanolide D chemical structure, C28H38O6, CAS 30655-48-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
30655-48-2
Formula
C28H38O6
Molar mass
470.61 g/mol
EC number
801-668-3
HS code
293220
Category
Steroids and sterols

What is Withanolide D?

Plain description, key identifiers and synonyms

Withanolide D is a withanolide that is 5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione substituted by hydroxy groups at positions 4 and 22 (the 4beta,5beta,6beta,22R stereoisomer). Isolated from Tubocapsicum anomalum and Withania somnifera, it exhibits cytotoxic activity. It has a role as an antineoplastic agent. It is an epoxy steroid, a delta-lactone, a tertiary alcohol, a secondary alcohol, a 20-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,15S,16S)-15-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-6-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one
CAS number
30655-48-2
EC number
801-668-3
Molecular formula
C28H38O6
UNII
XY366XV8JT
InChIKey
SASUFNRGCZMRFD-JCUIILOWSA-N
InChI
InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1
Canonical SMILES
CC1=C(C)C(=O)OC(C(C)(O)C2CCC3C4CC5OC56C(O)C=CC(=O)C6(C)C4CCC32C)C1
Isomeric SMILES
CC1=C(C(=O)O[C@H](C1)[C@@](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)O)C

Synonyms

  • 5,6-Epoxy-4,20,22-trihydroxy-1-oxoergosta-2,24-dien-26-oic acid delta-lactone
  • (4 beta,5 beta,6 beta,22R)-5,6-epoxy-4,20,22-trihydroxy-1-oxoergosta-2,24-dien-26-oic acid, delta-lactone
  • Withania somnifera
  • Withanolide d(p)
  • Dong Quai
  • WithanolideD
  • Indian ginseng
  • Chinese angelica
  • Angelica sinensis
  • Dang gui wei
  • Winter Cherry Root
  • Dihydrowithanolide D
  • Angelica Sinensis (Oliv.) Diels
  • 5beta,6beta-Epoxy-4beta,20R-dihydroxy1-oxo-witha-2,24-dienolide
  • (20R,22R)-5beta,6beta-epoxy-4beta,20-dihydroxy-1-oxowith-2-en-24-enolide
  • (22R)-4beta,20-Dihydroxy-5beta,6beta-5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione
  • (4beta,5beta,6beta,22R)-4,20-dihydroxy-5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione
  • (4beta,5beta,6beta,22R)-5,6-Epoxy-4,20,22-trihydroxy-1-oxoergosta-2,24-dien-26-oic acid, delta-lactone
  • [(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxy-ethyl]-hydroxy-dimethyl-[?]one
  • 5beta-ergosta-2,24-dien-26-oic acid, 5,6beta-epoxy-4beta,20,22-trihydroxy-1-oxo-, delta-lactone, (20S,22R)-
  • Ergosta-2,24-dien-26-oic acid, 5,6-epoxy-4,20,22-trihydroxy-1-oxo-, delta-lactone, (4beta,5beta,6beta,22R)-
  • withanolide, AC1L4PUZ, 5beta,6beta-Epoxy-4,20,22-trihydroxy-1-oxoergosta-2,24-dien-26-oic acid delta-lactone

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)
3.5calc.
Topological polar surface area
96.36 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
2calc.
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

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
Precautionary statements (9)
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Withanolide D suppliers

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Withanolide D 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

  • antibacterial agent
  • antimicrobial agent
  • antineoplastic agent
  • 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 Withanolide D 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 Withanolide D is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Withanolide D, based on the data on this page

What is Withanolide D?

Withanolide D is a withanolide that is 5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione substituted by hydroxy groups at positions 4 and 22 (the 4beta,5beta,6beta,22R stereoisomer). Isolated from Tubocapsicum anomalum and Withania somnifera, it exhibits cytotoxic activity. It has a role as an antineoplastic agent.

What is the CAS number of Withanolide D?

The CAS registry number of Withanolide D is 30655-48-2.

What is the molecular formula and weight of Withanolide D?

The molecular formula of Withanolide D is C28H38O6 and its molar mass is 470.61 g/mol.

What is Withanolide D used for?

Known uses and roles of Withanolide D include antibacterial agent, antimicrobial agent, antineoplastic agent and pharmaceutical.

Is Withanolide D hazardous?

Withanolide D carries the GHS signal word "Warning". Main hazards: causes skin irritation, causes serious eye irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Withanolide D?

Withanolide D is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Withanolide D?

CompoundList lists 1 supplier of Withanolide D in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Withanolide D?

Suppliers quote Withanolide D 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

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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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