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Screening compounds

Ustusolate A

Also known as [(1R,4S,4aS,8aS)-4-hydroxy-3,4-bis(hydroxymethyl)-4a,8,8-trimethyl-5,6,7,8a-tetrahydro-1H-naphthalen-1-yl] (2E,4E,6E)-octa-2,4,6-trienoate, ((1R,4S,4aS,8aS)-4-hydroxy-3,4-bis(hydroxymethyl)-4a,8,8-trimethyl-5,6,7,8a-tetrahydro-1H-naphthalen-1-yl) (2E,4E,6E)-octa-2,4,6-trienoate, USTUSOLic acid a

CAS 1136611-58-9Formula C23H34O5Molar mass 390.52 g/mol
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Ustusolate A chemical structure, C23H34O5, CAS 1136611-58-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1136611-58-9
Formula
C23H34O5
Molar mass
390.52 g/mol
HS code
291619
Category
Screening compounds

What is Ustusolate A?

Plain description, key identifiers and synonyms

Ustusolate A is a fatty acid ester.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1R,4S,4aS,8aS)-4-hydroxy-3,4-bis(hydroxymethyl)-4a,8,8-trimethyl-5,6,7,8a-tetrahydro-1H-naphthalen-1-yl] (2E,4E,6E)-octa-2,4,6-trienoate
CAS number
1136611-58-9
Molecular formula
C23H34O5
InChIKey
VYUGROORELIDOB-MOHQOPMHSA-N
InChI
InChI=1S/C23H34O5/c1-5-6-7-8-9-11-19(26)28-18-14-17(15-24)23(27,16-25)22(4)13-10-12-21(2,3)20(18)22/h5-9,11,14,18,20,24-25,27H,10,12-13,15-16H2,1-4H3/b6-5+,8-7+,11-9+/t18-,20+,22+,23-/m1/s1
Canonical SMILES
CC=CC=CC=CC(=O)OC1C=C(CO)C(O)(CO)C2(C)CCCC(C)(C)C12
Isomeric SMILES
C/C=C/C=C/C=C/C(=O)O[C@@H]1C=C([C@@]([C@@]2([C@@H]1C(CCC2)(C)C)C)(CO)O)CO

Synonyms

  • [(1R,4S,4aS,8aS)-4-hydroxy-3,4-bis(hydroxymethyl)-4a,8,8-trimethyl-5,6,7,8a-tetrahydro-1H-naphthalen-1-yl] (2E,4E,6E)-octa-2,4,6-trienoate
  • ((1R,4S,4aS,8aS)-4-hydroxy-3,4-bis(hydroxymethyl)-4a,8,8-trimethyl-5,6,7,8a-tetrahydro-1H-naphthalen-1-yl) (2E,4E,6E)-octa-2,4,6-trienoate
  • USTUSOLic acid a
  • (1R,4S,4AS,8as)-4-hydroxy-3,4-bis(hydroxymethyl)-4a,8,8-trimethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl (2E,4E,6E)-octa-2,4,6-trienoic acid
  • MEGxm0_000039
  • ACon0_000049

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
390.52 g/molcalc.
Exact mass
390.2406 Dacalc.
LogP (octanol/water)
3.08calc.
Topological polar surface area
86.99 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
6calc.
Heavy atoms
28calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.61calc.
Formal charge
0calc.
Stereocentres
4calc.
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=CCC2CCCCC2C1

C1=CCC2CCCCC2C1

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

63 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.

Ustusolate A suppliers

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Ustusolate A price

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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 Ustusolate A is traded under.

HS 2916.19Indicative HS code

Unsaturated acyclic monocarboxylic acids, their anhydrides, halides, peroxides…

World exports in 2024
$674M
−9.6% vs 2023, imports $722M
2019 to 2024
Top exporters
  1. China44.5%
  2. Germany15.3%
  3. India * partner reported11.5%
Top importers
  1. United States17.1%
  2. Netherlands7.8%
  3. South Korea7.0%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Ustusolate A, based on the data on this page

What is Ustusolate A?

Ustusolate A is a fatty acid ester.

What is the CAS number of Ustusolate A?

The CAS registry number of Ustusolate A is 1136611-58-9.

What is the molecular formula and weight of Ustusolate A?

The molecular formula of Ustusolate A is C23H34O5 and its molar mass is 390.52 g/mol.

What is Ustusolate A used for?

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

Is Ustusolate A hazardous?

No GHS hazard classification for Ustusolate A 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 Ustusolate A?

Ustusolate A is usually classified under HS code 291619 (Unsaturated acyclic monocarboxylic acids, their anhydrides, halides, peroxides…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Ustusolate A?

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

What is the price of Ustusolate A?

Suppliers quote Ustusolate A 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 Ustusolate A

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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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