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Screening compounds

Phomopsidin

Also known as (2E,4E)-5-[(1S,2R,4aS,5S,8S,8aS)-2-[(E)-but-2-en-2-yl]-5-hydroxy-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoic acid, (2E,4E)-5-((1S,2R,4aS,5S,8S,8aS)-2-((E)-but-2-en-2-yl)-5-hydroxy-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)penta-2,4-dienoic acid

CAS 199173-60-9Formula C21H30O3Molar mass 330.47 g/mol
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Phomopsidin chemical structure, C21H30O3, CAS 199173-60-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
199173-60-9
Formula
C21H30O3
Molar mass
330.47 g/mol
HS code
291819
Category
Screening compounds

What is Phomopsidin?

Plain description, key identifiers and synonyms

Phomopsidin is a medium-chain fatty acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2E,4E)-5-[(1S,2R,4aS,5S,8S,8aS)-2-[(E)-but-2-en-2-yl]-5-hydroxy-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoic acid
CAS number
199173-60-9
Molecular formula
C21H30O3
InChIKey
KNDPLJZJPQWOMQ-FDTXVGEPSA-N
InChI
InChI=1S/C21H30O3/c1-5-13(2)20-15(4)12-17-18(22)11-10-14(3)21(17)16(20)8-6-7-9-19(23)24/h5-9,12,14,16-18,20-22H,10-11H2,1-4H3,(H,23,24)/b8-6+,9-7+,13-5+/t14-,16+,17-,18-,20+,21-/m0/s1
Canonical SMILES
CC=C(C)C1C(C)=CC2C(O)CCC(C)C2C1C=CC=CC(=O)O
Isomeric SMILES
C/C=C(\C)/[C@H]1[C@H]([C@@H]2[C@H](CC[C@@H]([C@@H]2C=C1C)O)C)/C=C/C=C/C(=O)O

Synonyms

  • (2E,4E)-5-[(1S,2R,4aS,5S,8S,8aS)-2-[(E)-but-2-en-2-yl]-5-hydroxy-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoic acid
  • (2E,4E)-5-((1S,2R,4aS,5S,8S,8aS)-2-((E)-but-2-en-2-yl)-5-hydroxy-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)penta-2,4-dienoic acid

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
330.47 g/molcalc.
Exact mass
330.2195 Dacalc.
LogP (octanol/water)
4.37calc.
Topological polar surface area
57.53 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
4calc.
Heavy atoms
24calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.57calc.
Formal charge
0calc.
Stereocentres
6calc.
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, C1=CC2CCCCC2CC1

C1=CC2CCCCC2CC1

2 rings, 10 atoms, the 1,2,3,4,4a,5,6,8a-Octahydro-naphthalene ring system.

131 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.

Phomopsidin suppliers

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Phomopsidin 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 Phomopsidin is traded under.

HS 2918.19Indicative HS code

Carboxylic acids with alcohol function but without other oxygen function, their…

World exports in 2024
$1.37B
+0.5% vs 2023, imports $1.18B
2019 to 2024
Top exporters
  1. China23.7%
  2. Italy14.7%
  3. India * partner reported12.0%
Top importers
  1. Germany11.7%
  2. South Korea9.8%
  3. Italy9.6%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Phomopsidin?

Phomopsidin is a medium-chain fatty acid.

What is the CAS number of Phomopsidin?

The CAS registry number of Phomopsidin is 199173-60-9.

What is the molecular formula and weight of Phomopsidin?

The molecular formula of Phomopsidin is C21H30O3 and its molar mass is 330.47 g/mol.

What is Phomopsidin used for?

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

Is Phomopsidin hazardous?

No GHS hazard classification for Phomopsidin 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 Phomopsidin?

Phomopsidin is usually classified under HS code 291819 (Carboxylic acids with alcohol function but without other oxygen function, their…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Phomopsidin?

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

What is the price of Phomopsidin?

Suppliers quote Phomopsidin 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 Phomopsidin

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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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