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Screening compounds

Ailantinol E

Also known as (1R,2R,3R,7S,9R,13R,14S,15R,17S)-3,15-dihydroxy-17-(methoxymethyl)-2,6,14-trimethyl-10-oxahexacyclo(7.7.1.02,7.03,15.07,14.013,17)heptadec-5-ene-4,11,16-trione

CAS 625394-91-4Formula C21H24O7Molar mass 388.42 g/mol
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Ailantinol E chemical structure, C21H24O7, CAS 625394-91-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
625394-91-4
Formula
C21H24O7
Molar mass
388.42 g/mol
HS code
293220
Category
Screening compounds

What is Ailantinol E?

Plain description, key identifiers and synonyms

Ailantinol E has been reported in Ailanthus altissima.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,2R,3R,7S,9R,13R,14S,15R,17S)-3,15-dihydroxy-17-(methoxymethyl)-2,6,14-trimethyl-10-oxahexacyclo[7.7.1.02,7.03,15.07,14.013,17]heptadec-5-ene-4,11,16-trione
CAS number
625394-91-4
Molecular formula
C21H24O7
InChIKey
RSBGJWBXFGBAHB-ORNHATPOSA-N
InChI
InChI=1S/C21H24O7/c1-9-5-11(22)20(25)17(3)14-15(24)21(20,26)16(2)10-6-13(23)28-12(7-19(9,16)17)18(10,14)8-27-4/h5,10,12,14,25-26H,6-8H2,1-4H3/t10-,12+,14-,16-,17+,18+,19-,20+,21+/m0/s1
Canonical SMILES
COCC12C3CC45C(C)=CC(=O)C6(O)C(O)(C(=O)C1C64C)C5(C)C2CC(=O)O3
Isomeric SMILES
CC1=CC(=O)[C@]2([C@]3([C@@]14C[C@@H]5[C@@]6([C@H]3C(=O)[C@]2([C@]4([C@@H]6CC(=O)O5)C)O)COC)C)O

Synonyms

  • (1R,2R,3R,7S,9R,13R,14S,15R,17S)-3,15-dihydroxy-17-(methoxymethyl)-2,6,14-trimethyl-10-oxahexacyclo(7.7.1.02,7.03,15.07,14.013,17)heptadec-5-ene-4,11,16-trione

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
388.42 g/molcalc.
Exact mass
388.1522 Dacalc.
LogP (octanol/water)
0.17calc.
Topological polar surface area
110.1 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
2calc.
Heavy atoms
28calc.
Rings
7calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.76calc.
Formal charge
0calc.
Stereocentres
9calc.
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=C1CC2C3C(CC45C=CC(=O)C6C(C(=O)C3C64)C25)O1

O=C1CC2C3C(CC45C=CC(=O)C6C(C(=O)C3C64)C25)O1

7 rings, 20 atoms.

1 other chemical 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.

Ailantinol E suppliers

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

Frequently asked questions

Quick answers about Ailantinol E, based on the data on this page

What is Ailantinol E?

Ailantinol E has been reported in Ailanthus altissima.

What is the CAS number of Ailantinol E?

The CAS registry number of Ailantinol E is 625394-91-4.

What is the molecular formula and weight of Ailantinol E?

The molecular formula of Ailantinol E is C21H24O7 and its molar mass is 388.42 g/mol.

What is Ailantinol E used for?

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

Is Ailantinol E hazardous?

No GHS hazard classification for Ailantinol E 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 Ailantinol E?

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

Where can I buy Ailantinol E?

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

What is the price of Ailantinol E?

Suppliers quote Ailantinol E 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 Ailantinol E

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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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