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Screening compounds

Ebeinone

Also known as (1R,6R,9S,10R,14S,15S,18S,20S,23R,24S)-20-hydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacos-2(11)-en-17-one, (1R,6R,9S,10R,14S,15S,18S,20S,23R,24S)-20-hydroxy-6,10,23-trimethyl-4-azahexacyclo(12.11.0.02,11.04,9.015,24.018,23)pentacos-2(11)-en-17-one, 3beta-Hydroxy-5alpha,25alpha-cev-13(17)-en-6-one

CAS 125409-58-7Formula C27H41NO2Molar mass 411.63 g/mol
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Ebeinone chemical structure, C27H41NO2, CAS 125409-58-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
125409-58-7
Formula
C27H41NO2
Molar mass
411.63 g/mol
HS code
293399
Category
Screening compounds

What is Ebeinone?

Plain description, key identifiers and synonyms

Ebeinone has been reported in Fritillaria ebeiensis, Fritillaria imperialis, and Fritillaria unibracteata var. wabuensis.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,6R,9S,10R,14S,15S,18S,20S,23R,24S)-20-hydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacos-2(11)-en-17-one
CAS number
125409-58-7 CAS number cross-checked
Molecular formula
C27H41NO2
InChIKey
ICSCULPVAJQROK-ILIONMCUSA-N
InChI
InChI=1S/C27H41NO2/c1-15-4-7-25-16(2)18-5-6-19-20(22(18)14-28(25)13-15)11-23-21(19)12-26(30)24-10-17(29)8-9-27(23,24)3/h15-17,19-21,23-25,29H,4-14H2,1-3H3/t15-,16-,17+,19-,20-,21+,23+,24-,25+,27-/m1/s1
Canonical SMILES
CC1CCC2C(C)C3=C(CN2C1)C1CC2C(CC(=O)C4CC(O)CCC42C)C1CC3
Isomeric SMILES
C[C@@H]1CC[C@H]2[C@@H](C3=C(CN2C1)[C@@H]4C[C@H]5[C@H]([C@@H]4CC3)CC(=O)[C@@H]6[C@@]5(CC[C@@H](C6)O)C)C

Synonyms

  • (1R,6R,9S,10R,14S,15S,18S,20S,23R,24S)-20-hydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacos-2(11)-en-17-one
  • (1R,6R,9S,10R,14S,15S,18S,20S,23R,24S)-20-hydroxy-6,10,23-trimethyl-4-azahexacyclo(12.11.0.02,11.04,9.015,24.018,23)pentacos-2(11)-en-17-one
  • 3beta-Hydroxy-5alpha,25alpha-cev-13(17)-en-6-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
411.63 g/molcalc.
Exact mass
411.3137 Dacalc.
LogP (octanol/water)
4.84calc.
Topological polar surface area
40.54 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
0calc.
Heavy atoms
30calc.
Rings
6calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.89calc.
Formal charge
0calc.
Stereocentres
10calc.
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=C1CC2C3CCC4=C(CN5CCCCC5C4)C3CC2C2CCCCC12

O=C1CC2C3CCC4=C(CN5CCCCC5C4)C3CC2C2CCCCC12

6 rings, 26 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.

Ebeinone suppliers

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Ebeinone 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 Ebeinone is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Ebeinone is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Ebeinone?

Ebeinone has been reported in Fritillaria ebeiensis, Fritillaria imperialis, and Fritillaria unibracteata var. wabuensis.

What is the CAS number of Ebeinone?

The CAS registry number of Ebeinone is 125409-58-7.

What is the molecular formula and weight of Ebeinone?

The molecular formula of Ebeinone is C27H41NO2 and its molar mass is 411.63 g/mol.

What is Ebeinone used for?

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

Is Ebeinone hazardous?

No GHS hazard classification for Ebeinone 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 Ebeinone?

Ebeinone is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Ebeinone?

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

What is the price of Ebeinone?

Suppliers quote Ebeinone 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 Ebeinone

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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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