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Screening compounds

Calanolide E2

Also known as 5-hydroxy-6-(3-hydroxy-2-methylbutanoyl)-2,2-dimethyl-10-propyl-9,10-dihydropyrano[2,3-f]chromen-8-one, 5-hydroxy-6-(3-hydroxy-2-methylbutanoyl)-2,2-dimethyl-10-propyl-9,10-dihydropyrano(2,3-f)chromen-8-one, Calanolide E

CAS 179605-71-1Formula C22H28O6Molar mass 388.46 g/mol
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Calanolide E2 chemical structure, C22H28O6, CAS 179605-71-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
179605-71-1
Formula
C22H28O6
Molar mass
388.46 g/mol
HS code
293220
Category
Screening compounds

What is Calanolide E2?

Plain description, key identifiers and synonyms

Calanolide E2 (diastereoisomer of calanolide E1) is a natural product found in Calophyllum teysmannii var inophylloide and Calophyllum lanigerum var austrocoriaceum. It has a role as a metabolite.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-hydroxy-6-(3-hydroxy-2-methylbutanoyl)-2,2-dimethyl-10-propyl-9,10-dihydropyrano[2,3-f]chromen-8-one
CAS number
179605-71-1Other or deprecated CAS: 142566-61-8
Molecular formula
C22H28O6
InChIKey
QVXVUACNNIWBIU-UHFFFAOYSA-N
InChI
InChI=1S/C22H28O6/c1-6-7-13-10-15(24)27-21-16(13)20-14(8-9-22(4,5)28-20)19(26)17(21)18(25)11(2)12(3)23/h8-9,11-13,23,26H,6-7,10H2,1-5H3
SMILES (canonical and isomeric)
CCCC1CC(=O)OC2=C(C(=C3C=CC(OC3=C12)(C)C)O)C(=O)C(C)C(C)O

Synonyms

  • 5-hydroxy-6-(3-hydroxy-2-methylbutanoyl)-2,2-dimethyl-10-propyl-9,10-dihydropyrano[2,3-f]chromen-8-one
  • 5-hydroxy-6-(3-hydroxy-2-methylbutanoyl)-2,2-dimethyl-10-propyl-9,10-dihydropyrano(2,3-f)chromen-8-one
  • Calanolide E
  • Calanolide E2 (diastereoisomer of calanolide E1)
  • Calanolide E1,E2
  • 2,2-Dimethyl-5-hydroxy-6-(1-oxo-2-methyl-3-hydroxybutyl)-10-propyl-benzo[1,2-b'4,3-b']dipyran-8-one
  • 5-hydroxy-6-(3-hydroxy-2-methyl-butanoyl)-2,2-dimethyl-10-propyl-9,10-dihydropyrano[2,3-f]chromen-8-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
388.46 g/molcalc.
Exact mass
388.1886 Dacalc.
LogP (octanol/water)
3.97calc.
Topological polar surface area
93.06 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
5calc.
Heavy atoms
28calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.55calc.
Formal charge
0calc.
Stereocentres
3calc.
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=C1CCc2c(ccc3c2OCC=C3)O1

O=C1CCc2c(ccc3c2OCC=C3)O1

3 rings, 15 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.

Calanolide E2 suppliers

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Calanolide E2 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

  • 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 Calanolide E2 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 Calanolide E2 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Calanolide E2, based on the data on this page

What is Calanolide E2?

Calanolide E2 (diastereoisomer of calanolide E1) is a natural product found in Calophyllum teysmannii var inophylloide and Calophyllum lanigerum var austrocoriaceum. It has a role as a metabolite.

What is the CAS number of Calanolide E2?

The CAS registry number of Calanolide E2 is 179605-71-1. Other or deprecated CAS numbers: 142566-61-8.

What is the molecular formula and weight of Calanolide E2?

The molecular formula of Calanolide E2 is C22H28O6 and its molar mass is 388.46 g/mol.

What is Calanolide E2 used for?

Known uses and roles of Calanolide E2 include building blocks in research and laboratory, screening compounds in research and laboratory and metabolite.

Is Calanolide E2 hazardous?

No GHS hazard classification for Calanolide E2 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 Calanolide E2?

Calanolide E2 is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Calanolide E2?

Post a free request on CompoundList and suppliers of Calanolide E2 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Calanolide E2?

Suppliers quote Calanolide E2 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 Calanolide E2

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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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