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Screening compounds

Pteryxin

Also known as Pterixin, (+)-Pteryxin, [(9R,10R)-9-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] (Z)-2-methylbut-2-enoate

CAS 13161-75-6Formula C21H22O7Molar mass 386.40 g/mol
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Pteryxin chemical structure, C21H22O7, CAS 13161-75-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
13161-75-6
Formula
C21H22O7
Molar mass
386.40 g/mol
HS code
293220
Category
Screening compounds

What is Pteryxin?

Plain description, key identifiers and synonyms

Pteryxin is a member of coumarins.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(9R,10R)-9-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] (Z)-2-methylbut-2-enoate
CAS number
13161-75-6Other or deprecated CAS: 17944-23-9, 737005-97-9
Molecular formula
C21H22O7
UNII
C1G8A9744Z
MDL number
MFCD11519465
InChIKey
LYUZYPKZQDYMEE-YRCPKEQFSA-N
InChI
InChI=1S/C21H22O7/c1-6-11(2)20(24)27-18-16-14(28-21(4,5)19(18)25-12(3)22)9-7-13-8-10-15(23)26-17(13)16/h6-10,18-19H,1-5H3/b11-6-/t18-,19-/m1/s1
Canonical SMILES
CC=C(C)C(=O)OC1c2c(ccc3ccc(=O)oc23)OC(C)(C)C1OC(C)=O
Isomeric SMILES
C/C=C(/C)\C(=O)O[C@H]1[C@H](C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)OC(=O)C

Synonyms

  • Pterixin
  • (+)-Pteryxin
  • [(9R,10R)-9-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] (Z)-2-methylbut-2-enoate
  • (9R,10R)-9-Acetoxy-8,8-dimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-10-yl (Z)-2-methylbut-2-enoate
  • [(9R,10R)-9-acetoxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] (Z)-2-methylbut-2-enoate
  • 2-Butenoic acid, 2-methyl-, (9R,10R)-9-(acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-10-yl ester, (2Z)-
  • (+)-(3'r,4'r)-3'-Acetyl-4'-angeloylkhellactone
  • 2-Butenoic acid, 2-methyl-, 9-(acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo(1,2-b:3,4-b')dipyran-10-yl ester, (9R-(9alpha,10alpha(Z)))-
  • 2-Butenoic acid, 2-methyl-, (9R,10R)-9-(acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo(1,2-b:3,4-b')dipyran-10-yl ester, (2Z)-
  • Pteryxine
  • Bio-0315
  • 3'-O-acetyl-4'-O-angeloylkhellactone
  • [(9R,10R)-9-a
  • (9R,10R)-9-(acetyloxy)-8,8-dimethyl-2-oxo-2H,8H,9H,10H-pyrano[2,3-h]chromen-10-yl (2Z)-2-methylbut-2-enoate
  • (+)-cis-(3'R,4'R)-3'-acetyl-4'-angeloylkhellactone
  • (Z)-(9R,10R)-9-acetoxy-8,8-dimethyl-2-oxo-2,8,9,10-tetrahydropyrano[2,3-f]chromen-10-yl 2-methylbut-2-enoate
  • 2-Butenoic acid, 2-methyl-, (9R,10R)-9-(acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-ba(2)]dipyran-10-yl ester, (2Z)-rel-
  • 2-Butenoic acid, 2-methyl-, 9-(acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo(1,2-b:3- ,4-b')dipyran-10-yl ester, (9R-(9alpha,10alpha(Z)))-
  • Crotonic acid, 2-methyl-, 10-ester with 9,10-dihydro-9,10-dihydroxy-8,8-dimethyl-2H,8H-benzo(1,2-b:3,4-b')dipyran-2-one acetate, (Z)-

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
386.40 g/molcalc.
Exact mass
386.1366 Dacalc.
LogP (octanol/water)
3.45calc.
Topological polar surface area
92.04 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
3calc.
Heavy atoms
28calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.38calc.
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=c1ccc2ccc3c(c2o1)CCCO3

O=c1ccc2ccc3c(c2o1)CCCO3

3 rings, 15 atoms.

98 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.

Pteryxin suppliers

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All 2 suppliers

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Where suppliers are based

2 suppliers in 1 country

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

Frequently asked questions

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

What is Pteryxin?

Pteryxin is a member of coumarins.

What is the CAS number of Pteryxin?

The CAS registry number of Pteryxin is 13161-75-6. Other or deprecated CAS numbers: 17944-23-9, 737005-97-9.

What is the molecular formula and weight of Pteryxin?

The molecular formula of Pteryxin is C21H22O7 and its molar mass is 386.40 g/mol.

What is Pteryxin used for?

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

Is Pteryxin hazardous?

No GHS hazard classification for Pteryxin 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 Pteryxin?

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

Where can I buy Pteryxin?

CompoundList lists 2 suppliers of Pteryxin in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Pteryxin?

Suppliers quote Pteryxin 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

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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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