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Heterocyclic compounds

Ergolide

Also known as [(3aS,5R,5aS,8aR,9S,9aR)-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,5-b]furan-9-yl] acetate, ((3aS,5R,5aS,8aR,9S,9aR)-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydroazuleno(6,5-b)furan-9-yl) acetate, Dihydrobigelovin

CAS 54999-07-4Formula C17H22O5Molar mass 306.36 g/mol
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Ergolide chemical structure, C17H22O5, CAS 54999-07-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
54999-07-4
Formula
C17H22O5
Molar mass
306.36 g/mol
HS code
293220
Category
Heterocyclic compounds

What is Ergolide?

Plain description, key identifiers and synonyms

Ergolide is a sesquiterpene lactone that is decahydroazuleno[6,5-b]furan-2,5-dione substituted by methyl groups at positions 4a and 8, a methylidene group at position 3 and an acetyloxy group at position 4. It has been isolated from the aerial parts of Inula hupehensis. It has a role as a metabolite, an antineoplastic agent, an anti-inflammatory agent, a NF-kappaB inhibitor and a plant metabolite. It is an organic heterotricyclic compound, a gamma-lactone, a sesquiterpene lactone, a cyclic ketone and an acetate ester.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(3aS,5R,5aS,8aR,9S,9aR)-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,5-b]furan-9-yl] acetate
CAS number
54999-07-4 CAS number cross-checked
Molecular formula
C17H22O5
InChIKey
JCDZXDWMCKMXFF-MMLVVLEOSA-N
InChI
InChI=1S/C17H22O5/c1-8-7-12-14(9(2)16(20)22-12)15(21-10(3)18)17(4)11(8)5-6-13(17)19/h8,11-12,14-15H,2,5-7H2,1,3-4H3/t8-,11+,12+,14-,15+,17+/m1/s1
Canonical SMILES
C=C1C(=O)OC2CC(C)C3CCC(=O)C3(C)C(OC(C)=O)C12
Isomeric SMILES
C[C@@H]1C[C@H]2[C@H]([C@@H]([C@]3([C@H]1CCC3=O)C)OC(=O)C)C(=C)C(=O)O2

Synonyms

  • [(3aS,5R,5aS,8aR,9S,9aR)-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,5-b]furan-9-yl] acetate
  • ((3aS,5R,5aS,8aR,9S,9aR)-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydroazuleno(6,5-b)furan-9-yl) acetate
  • Dihydrobigelovin
  • (3aR,4S,4aR,7aS,8R,9aS)-4a,8-Dimethyl-3-methylene-2,5-dioxododecahydroazuleno[6,5-b]furan-4-yl acetate
  • (3ar,4s,4ar,7as,8r,9as)-4a,8-dimethyl-3-methylidene-2,5-dioxododecahydroazuleno[6,5-b]furan-4-yl acetate
  • (3Ar,4S,4ar,7as,8R,9as)-4a,8-dimethyl-3-methylidene-2,5-dioxo-dodecahydroazuleno[6,5-b]furan-4-yl acetate
  • 4a,8-Dimethyl-3-methylidene-2,5-dioxododecahydroazuleno[6,5-b]furan-4-yl acetate
  • (3aR)-(3aalpha,4alpha,4abeta,7aalpha,8alpha,9abeta)-4-(acetyloxy)decahydro-4a,8-dimethyl-3-methylene-azuleno(6,5-b)furan-2,5-dione
  • Azuleno(6,5-b)furan-2,5-dione, 4-(acetyloxy)decahydro-4a,8-dimethyl-3-methylene-, (3aR-(3aalpha,4alpha,4abeta,7aalpha,8alpha,9abeta)

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
306.36 g/molcalc.
Exact mass
306.1467 Dacalc.
LogP (octanol/water)
2.04calc.
Topological polar surface area
69.67 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
1calc.
Heavy atoms
22calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.71calc.
Formal charge
0calc.
Stereocentres
6calc.
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=C1C(=O)OC2CCC3CCC(=O)C3CC12

C=C1C(=O)OC2CCC3CCC(=O)C3CC12

3 rings, 16 atoms.

16 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.

Ergolide suppliers

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Ergolide 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

  • NF-kappaB inhibitor
  • anti-inflammatory agent
  • antineoplastic agent
  • eukaryotic metabolite
  • metabolite
  • pharmaceutical
  • plant metabolite

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

Frequently asked questions

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

What is Ergolide?

Ergolide is a sesquiterpene lactone that is decahydroazuleno[6,5-b]furan-2,5-dione substituted by methyl groups at positions 4a and 8, a methylidene group at position 3 and an acetyloxy group at position 4. It has been isolated from the aerial parts of Inula hupehensis.

What is the CAS number of Ergolide?

The CAS registry number of Ergolide is 54999-07-4.

What is the molecular formula and weight of Ergolide?

The molecular formula of Ergolide is C17H22O5 and its molar mass is 306.36 g/mol.

What is Ergolide used for?

Known uses and roles of Ergolide include nf-kappab inhibitor, anti-inflammatory agent, antineoplastic agent, eukaryotic metabolite, metabolite and 2 more.

Is Ergolide hazardous?

No GHS hazard classification for Ergolide 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 Ergolide?

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

Where can I buy Ergolide?

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What is the price of Ergolide?

Suppliers quote Ergolide 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 Ergolide

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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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