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Steroids and sterols

4beta-Hydroxywithanolide E

Also known as 4|A-Hydroxywithanolide E, 4-beta-Hydroxywithanolide E, 4beta-hydroxywithanolide

CAS 54334-04-2Formula C28H38O8Molar mass 502.60 g/mol
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4beta-Hydroxywithanolide E chemical structure, C28H38O8, CAS 54334-04-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
54334-04-2
Formula
C28H38O8
Molar mass
502.60 g/mol
HS code
293220
Category
Steroids and sterols

What is 4beta-Hydroxywithanolide E?

Plain description, key identifiers and synonyms

4beta-Hydroxywithanolide E is a withanolide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S,2R,6S,7R,9R,11R,12R,15S,16S)-15-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-6,12,15-trihydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one
CAS number
54334-04-2
Molecular formula
C28H38O8
InChIKey
UPBUGICUKQIKTJ-KABTZXSUSA-N
InChI
InChI=1S/C28H38O8/c1-14-12-20(35-22(31)15(14)2)25(5,32)27(34)11-10-26(33)17-13-21-28(36-21)19(30)7-6-18(29)24(28,4)16(17)8-9-23(26,27)3/h6-7,16-17,19-21,30,32-34H,8-13H2,1-5H3/t16-,17+,19-,20+,21+,23-,24-,25-,26+,27-,28+/m0/s1
Canonical SMILES
CC1=C(C)C(=O)OC(C(C)(O)C2(O)CCC3(O)C4CC5OC56C(O)C=CC(=O)C6(C)C4CCC32C)C1
Isomeric SMILES
CC1=C(C(=O)O[C@H](C1)[C@@](C)([C@@]2(CC[C@@]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)O)O)C

Synonyms

  • 4|A-Hydroxywithanolide E
  • 4-beta-Hydroxywithanolide E
  • 4beta-hydroxywithanolide
  • Withanolide E, 4-beta-hydroxy-
  • 4|?-Hydroxywithanolide E
  • 4I(2)-Hydroxywithanolide E
  • Withanolide e, 4-b-hydroxy-
  • 5,6-Epoxy-4,14,17,20,22-pentahydroxy-1-oxoergosta-2,24-dien-26-oic acid delta-lactone
  • Ergosta-2,24-dien-26-oic acid, 5,6-epoxy-4,14,17,20,22-pentahydroxy-1-oxo-, delta-lactone, (4-beta,5-beta,6-beta,17-alpha,22R)-
  • 4beta-Hydroxywithanolide E, NSC 212509
  • Ergosta-2, 5,6-epoxy-4,14,17,20,22-pentahydroxy-1-oxo-, delta-lactone
  • (22R)-4beta,14,17,20-Tetrahydroxy-5beta,6beta,17alpha-5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione
  • 5|A,6|A-epoxy-4|A,14,17|A,20,22R-pentahydroxy-1-oxo-ergosta-2,24-dien-26-oic acid, ?-lactone
  • Ergosta-2, 5,6-epoxy-4,14,17,20,22-pentahydroxy-1-oxo-, delta-lactone, (4beta,5beta,6beta,17alpha,22R)-

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
502.60 g/molcalc.
Exact mass
502.2567 Dacalc.
LogP (octanol/water)
1.73calc.
Topological polar surface area
136.8 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
2calc.
Heavy atoms
36calc.
Rings
6calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.79calc.
Formal charge
0calc.
Stereocentres
11calc.
Lipinski rule of five
Passes (1 violation)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.

4beta-Hydroxywithanolide E suppliers

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4beta-Hydroxywithanolide E price

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 4beta-Hydroxywithanolide E 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 4beta-Hydroxywithanolide E is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 4beta-Hydroxywithanolide E, based on the data on this page

What is 4beta-Hydroxywithanolide E?

4beta-Hydroxywithanolide E is a withanolide.

What is the CAS number of 4beta-Hydroxywithanolide E?

The CAS registry number of 4beta-Hydroxywithanolide E is 54334-04-2.

What is the molecular formula and weight of 4beta-Hydroxywithanolide E?

The molecular formula of 4beta-Hydroxywithanolide E is C28H38O8 and its molar mass is 502.60 g/mol.

Is 4beta-Hydroxywithanolide E hazardous?

No GHS hazard classification for 4beta-Hydroxywithanolide E 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 4beta-Hydroxywithanolide E?

4beta-Hydroxywithanolide E is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 4beta-Hydroxywithanolide E?

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What is the price of 4beta-Hydroxywithanolide E?

Suppliers quote 4beta-Hydroxywithanolide E 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 4beta-Hydroxywithanolide E

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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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