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Heterocyclic building blocks

Pseudohalonectrin B

Also known as (7S,8S)-7-ethyl-8-hydroxy-4,7-dimethyl-3-((E)-prop-1-enyl)-8H-isochromen-6-one, (7S,8S)-7-ethyl-8-hydroxy-4,7-dimethyl-3-[(E)-prop-1-enyl]-8H-isochromen-6-one

CAS 917243-58-4Formula C16H20O3Molar mass 260.33 g/mol
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Pseudohalonectrin B chemical structure, C16H20O3, CAS 917243-58-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
917243-58-4
Formula
C16H20O3
Molar mass
260.33 g/mol
HS code
293299
Category
Heterocyclic building blocks

What is Pseudohalonectrin B?

Plain description, key identifiers and synonyms

Pseudohalonectrin B is an azaphilone.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(7S,8S)-7-ethyl-8-hydroxy-4,7-dimethyl-3-[(E)-prop-1-enyl]-8H-isochromen-6-one
CAS number
917243-58-4
Molecular formula
C16H20O3
InChIKey
QBKGXFXFUVDEMN-HRNFOAQLSA-N
InChI
InChI=1S/C16H20O3/c1-5-7-13-10(3)11-8-14(17)16(4,6-2)15(18)12(11)9-19-13/h5,7-9,15,18H,6H2,1-4H3/b7-5+/t15-,16+/m0/s1
Canonical SMILES
CC=CC1=C(C)C2=CC(=O)C(C)(CC)C(O)C2=CO1
Isomeric SMILES
CC[C@]1([C@H](C2=COC(=C(C2=CC1=O)C)/C=C/C)O)C

Synonyms

  • (7S,8S)-7-ethyl-8-hydroxy-4,7-dimethyl-3-((E)-prop-1-enyl)-8H-isochromen-6-one
  • (7S,8S)-7-ethyl-8-hydroxy-4,7-dimethyl-3-[(E)-prop-1-enyl]-8H-isochromen-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
260.33 g/molcalc.
Exact mass
260.1412 Dacalc.
LogP (octanol/water)
3.04calc.
Topological polar surface area
46.53 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
2calc.
Heavy atoms
19calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.44calc.
Formal charge
0calc.
Stereocentres
2calc.
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=C1C=C2C=COC=C2CC1

O=C1C=C2C=COC=C2CC1

2 rings, 11 atoms.

22 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.

Pseudohalonectrin B suppliers

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Pseudohalonectrin B 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 Pseudohalonectrin B is traded under.

HS 2932.99Indicative HS code

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

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Pseudohalonectrin B, based on the data on this page

What is Pseudohalonectrin B?

Pseudohalonectrin B is an azaphilone.

What is the CAS number of Pseudohalonectrin B?

The CAS registry number of Pseudohalonectrin B is 917243-58-4.

What is the molecular formula and weight of Pseudohalonectrin B?

The molecular formula of Pseudohalonectrin B is C16H20O3 and its molar mass is 260.33 g/mol.

What is Pseudohalonectrin B used for?

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

Is Pseudohalonectrin B hazardous?

No GHS hazard classification for Pseudohalonectrin B 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 Pseudohalonectrin B?

Pseudohalonectrin B is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Pseudohalonectrin B?

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

What is the price of Pseudohalonectrin B?

Suppliers quote Pseudohalonectrin B 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 Pseudohalonectrin B

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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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