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Screening compounds

Deoxyandrographolide

Also known as 14-deoxyandrographolide, 4-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one, 2(5H)-Furanone, 3-(2-((1R,4aS,5R,6R,8aS)-decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl)ethyl)-

CAS 4176-97-0Formula C20H30O4Molar mass 334.46 g/mol
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Deoxyandrographolide chemical structure, C20H30O4, CAS 4176-97-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
4176-97-0
Formula
C20H30O4
Molar mass
334.46 g/mol
HS code
293220
Category
Screening compounds

What is Deoxyandrographolide?

Plain description, key identifiers and synonyms

14-Deoxyandrographolide is a diterpene lactone.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one
CAS number
4176-97-0 CAS number cross-checked
Molecular formula
C20H30O4
UNII
WLN91FAQ6Z
InChIKey
GVRNTWSGBWPJGS-YSDSKTICSA-N
InChI
InChI=1S/C20H30O4/c1-13-4-7-16-19(2,10-8-17(22)20(16,3)12-21)15(13)6-5-14-9-11-24-18(14)23/h9,15-17,21-22H,1,4-8,10-12H2,2-3H3/t15-,16+,17-,19+,20+/m1/s1
Canonical SMILES
C=C1CCC2C(C)(CO)C(O)CCC2(C)C1CCC1=CCOC1=O
Isomeric SMILES
C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2CCC3=CCOC3=O)(C)CO)O

Synonyms

  • 14-deoxyandrographolide
  • 4-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one
  • 2(5H)-Furanone, 3-(2-((1R,4aS,5R,6R,8aS)-decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl)ethyl)-
  • 3-(2-((1R,4aS,5R,6R,8aS)-Decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl)ethyl)-2(5H)-furanone
  • 4-(2-((1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)ethyl)-2H-furan-5-one
  • 4-(2-((4aS,5R,6R,8aR)-6-hydroxy-5-(hydroxymethyl)-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl)ethyl)-2H-furan-5-one
  • 3-(2-((1R,4aS,5R,6R,8aS)-6-Hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydronaphthalen-1-yl)ethyl)furan-2(5H)-one
  • 14-deoxy-andrographolide
  • 14-Deoxyandrographolide (Standard)
  • 3-{2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-decahydronaphthalen-1-yl]ethyl}-2,5-dihydrofuran-2-one
  • 12,13-Dehydro-14-deoxyandrographolide, 14-Deoxyandrographolide
  • Ent-3beta-hydroxy-8(17),13(14)-labdadiene-16,15-olide 14-deoxyandrographolide
  • 3-[2-[(1R,4a|?)-2-Methylene-5| cent-(hydroxymethyl)-5,8a| cent-dimethyl-6| cent-hydroxydecalin-1| cent-yl]ethyl]-2,5-dihydrofuran-2-one
  • 3-[2-[(1R,4a|A)-2-Methylene-5|A-(hydroxymethyl)-5,8a|A-dimethyl-6|A-hydroxydecalin-1|A-yl]ethyl]-2,5-dihydrofuran-2-one
  • 3-{2-[(1R,4aS,5R,6R,8aS)-6-Hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidenedecahydronaphthalen-1-yl]ethyl}furan-2(5H)-one
  • 4-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-decalin-1-yl]ethyl]-2H-furan-5-one
  • 4-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-uran-5-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
334.46 g/molcalc.
Exact mass
334.2144 Dacalc.
LogP (octanol/water)
2.99calc.
Topological polar surface area
66.76 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
4calc.
Heavy atoms
24calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.75calc.
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=C1CCC2CCCCC2C1CCC1=CCOC1=O

C=C1CCC2CCCCC2C1CCC1=CCOC1=O

3 rings, 19 atoms.

14 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.

Deoxyandrographolide suppliers

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All 5 suppliers
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Where suppliers are based

5 suppliers in 2 countries

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

Frequently asked questions

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

What is Deoxyandrographolide?

14-Deoxyandrographolide is a diterpene lactone.

What is the CAS number of Deoxyandrographolide?

The CAS registry number of Deoxyandrographolide is 4176-97-0.

What is the molecular formula and weight of Deoxyandrographolide?

The molecular formula of Deoxyandrographolide is C20H30O4 and its molar mass is 334.46 g/mol.

What is Deoxyandrographolide used for?

Known uses and roles of Deoxyandrographolide include building blocks in research and laboratory, screening compounds in research and laboratory, antineoplastic agent, immunomodulator, immunosuppressive agent and 1 more.

Is Deoxyandrographolide hazardous?

No GHS hazard classification for Deoxyandrographolide 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 Deoxyandrographolide?

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

Where can I buy Deoxyandrographolide?

CompoundList lists 5 suppliers of Deoxyandrographolide in China and United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Deoxyandrographolide?

Suppliers quote Deoxyandrographolide 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 Deoxyandrographolide

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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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