CompoundList
Sign in
Screening compounds

Oxyphysodic acid

Also known as 3,9,10-trihydroxy-6-oxo-7-(2-oxoheptyl)-1-pentylbenzo[b][1,4]benzodioxepine-2-carboxylic acid, 3,9,10-trihydroxy-6-oxo-7-(2-oxoheptyl)-1-pentylbenzo(b)(1,4)benzodioxepine-2-carboxylic acid, 3-Hydroxyphysodic acid

CAS 53899-46-0Formula C26H30O9Molar mass 486.52 g/mol
Get quotes Safety data
Oxyphysodic acid chemical structure, C26H30O9, CAS 53899-46-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
53899-46-0
Formula
C26H30O9
Molar mass
486.52 g/mol
HS code
293220
Category
Screening compounds

What is Oxyphysodic acid?

Plain description, key identifiers and synonyms

3-Hydroxyphysodic acid is a carbonyl compound.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3,9,10-trihydroxy-6-oxo-7-(2-oxoheptyl)-1-pentylbenzo[b][1,4]benzodioxepine-2-carboxylic acid
CAS number
53899-46-0 CAS number cross-checked
Molecular formula
C26H30O9
InChIKey
BQHHNAPTXQOPBW-UHFFFAOYSA-N
InChI
InChI=1S/C26H30O9/c1-3-5-7-9-15(27)11-14-12-18(29)22(30)24-20(14)26(33)34-19-13-17(28)21(25(31)32)16(23(19)35-24)10-8-6-4-2/h12-13,28-30H,3-11H2,1-2H3,(H,31,32)
SMILES (canonical and isomeric)
CCCCCC1=C(C(=CC2=C1OC3=C(C(=CC(=C3O)O)CC(=O)CCCCC)C(=O)O2)O)C(=O)O

Synonyms

  • 3,9,10-trihydroxy-6-oxo-7-(2-oxoheptyl)-1-pentylbenzo[b][1,4]benzodioxepine-2-carboxylic acid
  • 3,9,10-trihydroxy-6-oxo-7-(2-oxoheptyl)-1-pentylbenzo(b)(1,4)benzodioxepine-2-carboxylic acid
  • 3-Hydroxyphysodic acid
  • ACon1_002088
  • 3,4,8-Trihydroxy-11-oxo-1-(2-oxoheptyl)-6-pentyl-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid
  • 3,4,8-trihydroxy-11-oxo-1-(2-oxoheptyl)-6-pentyl-11H-dibenzo[b,e][1,4]dioxepine-7-carboxylic acid
  • 11H-Dibenzo(b,e)(1,4)dioxepin-11-one, 2,4,8-trihydroxy-1-(2-oxoheptyl)-6-pentyl-

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
486.52 g/molcalc.
Exact mass
486.189 Dacalc.
LogP (octanol/water)
5.25calc.
Topological polar surface area
150.6 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
11calc.
Heavy atoms
35calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.42calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (1 violation)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=C1Oc2ccccc2Oc2ccccc21

O=C1Oc2ccccc2Oc2ccccc21

3 rings, 16 atoms, the 11H-Dibenzo(b,e)(1,4)dioxepin-11-one ring system.

73 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.

Oxyphysodic acid suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

No supplier listings yet

Post one free request and suppliers who make or trade Oxyphysodic acid can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Oxyphysodic acid price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

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

Frequently asked questions

Quick answers about Oxyphysodic acid, based on the data on this page

What is Oxyphysodic acid?

3-Hydroxyphysodic acid is a carbonyl compound.

What is the CAS number of Oxyphysodic acid?

The CAS registry number of Oxyphysodic acid is 53899-46-0.

What is the molecular formula and weight of Oxyphysodic acid?

The molecular formula of Oxyphysodic acid is C26H30O9 and its molar mass is 486.52 g/mol.

What is Oxyphysodic acid used for?

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

Is Oxyphysodic acid hazardous?

No GHS hazard classification for Oxyphysodic acid 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 Oxyphysodic acid?

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

Where can I buy Oxyphysodic acid?

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

What is the price of Oxyphysodic acid?

Suppliers quote Oxyphysodic acid 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 Oxyphysodic acid

Get quotes for Oxyphysodic acid

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Oxyphysodic acid
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Oxyphysodic acid with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/oxyphysodic-acid-53899-46-0" title="Oxyphysodic acid structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Screening compounds or HS code 293220

Price on request
Free quotes, contact stays private
Get quotes