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Screening compounds

Panepophenanthrin

Also known as (+)-Panepophenanthrin, 1,3a,10-trihydroxy-10c-(3-hydroxy-3-methylbut-1-enyl)-5,5-dimethyl-1,2,3,3a,5,5a,8,9,10,10a,10b,10c-dodecahydro-4-oxa-2,3,8,9-diepoxyacephenanthrylen-7-one, Panepophenanthrine

CAS 409064-57-9Formula C22H28O8Molar mass 420.46 g/mol
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Panepophenanthrin chemical structure, C22H28O8, CAS 409064-57-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
409064-57-9
Formula
C22H28O8
Molar mass
420.46 g/mol
HS code
293299
Category
Screening compounds

What is Panepophenanthrin?

Plain description, key identifiers and synonyms

Panepophenanthrin is a naphthofuran.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S,2S,3R,4S,6S,10S,13R,14S,16S,17R,18S)-3,13,17-trihydroxy-18-[(E)-3-hydroxy-3-methylbut-1-enyl]-11,11-dimethyl-5,12,15-trioxahexacyclo[8.7.1.02,8.04,6.013,18.014,16]octadec-8-en-7-one
CAS number
409064-57-9
Molecular formula
C22H28O8
UNII
791VPS8I0J
InChIKey
WQBRQZUREPTGLI-ODDMXWQNSA-N
InChI
InChI=1S/C22H28O8/c1-19(2,26)5-6-21-9-7-8-10(13(24)16-15(28-16)12(8)23)11(21)14(25)17-18(29-17)22(21,27)30-20(9,3)4/h5-7,9-11,13-18,24-27H,1-4H3/b6-5+/t9-,10-,11-,13-,14-,15-,16+,17+,18+,21-,22+/m1/s1
Canonical SMILES
CC(C)(O)C=CC12C3C(O)C4OC4C1(O)OC(C)(C)C2C=C1C(=O)C2OC2C(O)C13
Isomeric SMILES
CC1([C@H]2C=C3[C@H]([C@H]4[C@@]2([C@@](O1)([C@@H]5[C@H]([C@@H]4O)O5)O)/C=C/C(C)(C)O)[C@H]([C@H]6[C@@H](C3=O)O6)O)C

Synonyms

  • (+)-Panepophenanthrin
  • 1,3a,10-trihydroxy-10c-(3-hydroxy-3-methylbut-1-enyl)-5,5-dimethyl-1,2,3,3a,5,5a,8,9,10,10a,10b,10c-dodecahydro-4-oxa-2,3,8,9-diepoxyacephenanthrylen-7-one
  • Panepophenanthrine

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
420.46 g/molcalc.
Exact mass
420.1784 Dacalc.
LogP (octanol/water)
-0.56calc.
Topological polar surface area
132.3 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
2calc.
Heavy atoms
30calc.
Rings
6calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.77calc.
Formal charge
0calc.
Stereocentres
11calc.
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=C1C2=CC3COC4C5OC5CC(C2CC2OC12)C34

O=C1C2=CC3COC4C5OC5CC(C2CC2OC12)C34

6 rings, 19 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.

Panepophenanthrin suppliers

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

Frequently asked questions

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

What is Panepophenanthrin?

Panepophenanthrin is a naphthofuran.

What is the CAS number of Panepophenanthrin?

The CAS registry number of Panepophenanthrin is 409064-57-9.

What is the molecular formula and weight of Panepophenanthrin?

The molecular formula of Panepophenanthrin is C22H28O8 and its molar mass is 420.46 g/mol.

What is Panepophenanthrin used for?

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

Is Panepophenanthrin hazardous?

No GHS hazard classification for Panepophenanthrin 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 Panepophenanthrin?

Panepophenanthrin 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 Panepophenanthrin?

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

What is the price of Panepophenanthrin?

Suppliers quote Panepophenanthrin 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 Panepophenanthrin

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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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