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Screening compounds

Deoxygedunin

Also known as Deoxygeduniun, Gedunin,15-deoxy, 15-Deoxy-Gedunin

CAS 21963-95-1Formula C28H34O6Molar mass 466.57 g/mol
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Deoxygedunin chemical structure, C28H34O6, CAS 21963-95-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
21963-95-1
Formula
C28H34O6
Molar mass
466.57 g/mol
HS code
293220
Category
Screening compounds

What is Deoxygedunin?

Plain description, key identifiers and synonyms

Deoxygedunin is a chemical substance with the molecular formula C28H34O6 and a molar mass of 466.57 g/mol. Its CAS registry number is 21963-95-1. The IUPAC name is [(1R,4bR,5R,6aR,10aR,10bR,12aR)-1-(furan-3-yl)-4b,7,7,10a,12a-pentamethyl-3,8-dioxo-5,6,6a,10b,11,12-hexahydro-1H-naphtho[2,1-f]isochromen-5-yl] acetate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1R,4bR,5R,6aR,10aR,10bR,12aR)-1-(furan-3-yl)-4b,7,7,10a,12a-pentamethyl-3,8-dioxo-5,6,6a,10b,11,12-hexahydro-1H-naphtho[2,1-f]isochromen-5-yl] acetate
CAS number
21963-95-1 CAS number cross-checked
Molecular formula
C28H34O6
UNII
Z8ANY33BM5
InChIKey
VOUDTVRGPAGHGA-SQIPALKSSA-N
InChI
InChI=1S/C28H34O6/c1-16(29)33-22-13-19-25(2,3)21(30)8-11-26(19,4)18-7-10-27(5)20(28(18,22)6)14-23(31)34-24(27)17-9-12-32-15-17/h8-9,11-12,14-15,18-19,22,24H,7,10,13H2,1-6H3/t18-,19+,22-,24+,26-,27-,28-/m1/s1
Canonical SMILES
CC(=O)OC1CC2C(C)(C)C(=O)C=CC2(C)C2CCC3(C)C(=CC(=O)OC3c3ccoc3)C12C
Isomeric SMILES
CC(=O)O[C@@H]1C[C@@H]2[C@](C=CC(=O)C2(C)C)([C@@H]3[C@@]1(C4=CC(=O)O[C@H]([C@@]4(CC3)C)C5=COC=C5)C)C

Synonyms

  • Deoxygeduniun
  • Gedunin,15-deoxy
  • 15-Deoxy-Gedunin
  • 8beta-Podocarp-1-ene-delta14,alpha-acetic acid, 13beta-(3-furylhydroxymethyl)-7alpha-hydroxy-8,13-dimethyl-3-oxo-, 14,13-lactone, acetate
  • D-Homo-24-nor-17-oxachola-1,14,20,22-tetraene-3,16-dione, 7-(acetyloxy)-21,23-epoxy-4,4,8-trimethyl-, (5alpha,7alpha,13alpha,17aalpha)-
  • 16,14,20,22-tetraen-16-oic acid, 7-(acetyloxy)-21,23-epoxy-17-hydroxy-4,4,8-trimethyl-3-oxo-, delta-lactone, (5alpha,7alpha,13alpha,17alpha)-
  • 8beta-Podocarp-1-ene-delta14, 13beta-(3-furylhydroxymethyl)-7alpha-hydroxy-8,13-dimethyl-3-oxo-, 14,13-lactone, acetate
  • D-Homo-24-nor-17-oxachola-1,20,22-tetraene-3,16-dione, 7-(acetyloxy)-21,23-epoxy-4,4,8-trimethyl-, (5alpha,7alpha,13alpha,17aalpha)-

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
466.57 g/molcalc.
Exact mass
466.2355 Dacalc.
LogP (octanol/water)
5.35calc.
Topological polar surface area
82.81 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
2calc.
Heavy atoms
34calc.
Rings
5calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.61calc.
Formal charge
0calc.
Stereocentres
7calc.
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=CC2C(CCC3C4=CC(=O)OC(c5ccoc5)C4CCC32)C1

O=C1C=CC2C(CCC3C4=CC(=O)OC(c5ccoc5)C4CCC32)C1

5 rings, 25 atoms.

4 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.

Deoxygedunin suppliers

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

Frequently asked questions

Quick answers about Deoxygedunin, based on the data on this page

What is Deoxygedunin?

Deoxygedunin is a chemical substance with the molecular formula C28H34O6 and a molar mass of 466.57 g/mol. Its CAS registry number is 21963-95-1. The IUPAC name is [(1R,4bR,5R,6aR,10aR,10bR,12aR)-1-(furan-3-yl)-4b,7,7,10a,12a-pentamethyl-3,8-dioxo-5,6,6a,10b,11,12-hexahydro-1H-naphtho[2,1-f]isochromen-5-yl] acetate.

What is the CAS number of Deoxygedunin?

The CAS registry number of Deoxygedunin is 21963-95-1.

What is the molecular formula and weight of Deoxygedunin?

The molecular formula of Deoxygedunin is C28H34O6 and its molar mass is 466.57 g/mol.

What is Deoxygedunin used for?

Known uses and roles of Deoxygedunin include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Deoxygedunin hazardous?

No GHS hazard classification for Deoxygedunin 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 Deoxygedunin?

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

Where can I buy Deoxygedunin?

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

What is the price of Deoxygedunin?

Suppliers quote Deoxygedunin 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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