CompoundList
Sign in
Screening compounds

Leonotinin

Also known as Epoxyleonotin, rel-(2aR,5aR,6R,7S,8aS,8bS)-6-[2-(3-furyl)ethyl]-6-hydroxy-2a,5a-dimethyloctahydro-2H,3H-spiro[naphtho[1,8-bc]furan-7,2'-oxiran]-2-one, spiro[2H-naphtho[1,8-bc]furan-7(3H),2'-oxiran]-2-one, 6-[2-(3-furanyl)ethyl]octahydro-6-hydroxy-2a,5a-dimethyl-, (2aS,5aS,6S,7R,8aR,8bR)-

CAS 55784-80-0Formula C20H26O5Molar mass 346.42 g/mol
Get quotes Safety data
Leonotinin chemical structure, C20H26O5, CAS 55784-80-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
55784-80-0
Formula
C20H26O5
Molar mass
346.42 g/mol
HS code
293220
Category
Screening compounds

What is Leonotinin?

Plain description, key identifiers and synonyms

Leonotinin has been reported in Leonotis ocymifolia, Leonurus, and other organisms.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,4S,8S,9S,10R,12R)-9-[2-(furan-3-yl)ethyl]-9-hydroxy-4,8-dimethylspiro[2-oxatricyclo[6.3.1.04,12]dodecane-10,2'-oxirane]-3-one
CAS number
55784-80-0 CAS number cross-checked
Molecular formula
C20H26O5
InChIKey
TYPXWADRUZBXSO-FHZWTMRJSA-N
InChI
InChI=1S/C20H26O5/c1-17-6-3-7-18(2)15(17)14(25-16(17)21)10-19(12-24-19)20(18,22)8-4-13-5-9-23-11-13/h5,9,11,14-15,22H,3-4,6-8,10,12H2,1-2H3/t14-,15+,17+,18+,19-,20+/m1/s1
Canonical SMILES
CC12CCCC3(C)C1C(CC1(CO1)C3(O)CCc1ccoc1)OC2=O
Isomeric SMILES
C[C@]12CCC[C@]3([C@H]1[C@@H](C[C@]4([C@@]3(CCC5=COC=C5)O)CO4)OC2=O)C

Synonyms

  • Epoxyleonotin
  • rel-(2aR,5aR,6R,7S,8aS,8bS)-6-[2-(3-furyl)ethyl]-6-hydroxy-2a,5a-dimethyloctahydro-2H,3H-spiro[naphtho[1,8-bc]furan-7,2'-oxiran]-2-one
  • spiro[2H-naphtho[1,8-bc]furan-7(3H),2'-oxiran]-2-one, 6-[2-(3-furanyl)ethyl]octahydro-6-hydroxy-2a,5a-dimethyl-, (2aS,5aS,6S,7R,8aR,8bR)-
  • (1R,4S,8S,9S,10R,12R)-9-(2-(furan-3-yl)ethyl)-9-hydroxy-4,8-dimethylspiro(2-oxatricyclo(6.3.1.04,12)dodecane-10,2'-oxirane)-3-one
  • (1R,4S,8S,9S,10R,12R)-9-[2-(furan-3-yl)ethyl]-9-hydroxy-4,8-dimethylspiro[2-oxatricyclo[6.3.1.04,12]dodecane-10,2'-oxirane]-3-one
  • rel-(2aR,5aR,6R,7S,8aS,8bS)-6-(2-(3-furyl)ethyl)-6-hydroxy-2a,5a-dimethyloctahydro-2H,3H-spiro(naphtho(1,8-bc)furan-7,2'-oxiran)-2-one
  • spiro(2H-naphtho(1,8-bc)furan-7(3H),2'-oxiran)-2-one, 6-(2-(3-furanyl)ethyl)octahydro-6-hydroxy-2a,5a-dimethyl-, (2aS,5aS,6S,7R,8aR,8bR)-
  • (2'R,2aS,5aS,6S,8aR,8bR)-6-[2-(Furan-3-yl)ethyl]-6-hydroxy-2a,5a-dimethyloctahydro-2H,3H-spiro[naphtho[1,8-bc]furan-7,2'-oxiran]-2-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
346.42 g/molcalc.
Exact mass
346.178 Dacalc.
LogP (octanol/water)
2.85calc.
Topological polar surface area
72.2 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
3calc.
Heavy atoms
25calc.
Rings
5calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.75calc.
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, O=C1OC2CC3(CO3)C(CCc3ccoc3)C3CCCC1C23

O=C1OC2CC3(CO3)C(CCc3ccoc3)C3CCCC1C23

5 rings, 22 atoms.

No other chemical in our database has 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.

Leonotinin suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

No supplier listings yet

Post one free request and suppliers who make or trade Leonotinin can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Leonotinin price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

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

Frequently asked questions

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

What is Leonotinin?

Leonotinin has been reported in Leonotis ocymifolia, Leonurus, and other organisms.

What is the CAS number of Leonotinin?

The CAS registry number of Leonotinin is 55784-80-0.

What is the molecular formula and weight of Leonotinin?

The molecular formula of Leonotinin is C20H26O5 and its molar mass is 346.42 g/mol.

What is Leonotinin used for?

Known uses and roles of Leonotinin include cooling agents in flavors and fragrances, building blocks in research and laboratory and screening compounds in research and laboratory.

Is Leonotinin hazardous?

No GHS hazard classification for Leonotinin 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 Leonotinin?

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

Where can I buy Leonotinin?

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

What is the price of Leonotinin?

Suppliers quote Leonotinin 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 Leonotinin

Get quotes for Leonotinin

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Leonotinin
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Leonotinin with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/leonotinin-55784-80-0" title="Leonotinin structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Screening compounds or HS code 293220

Price on request
Free quotes, contact stays private
Get quotes