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Screening compounds

(-)-Spiculoic acid A

CAS 910333-81-2Formula C27H36O3Molar mass 408.58 g/mol
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(-)-Spiculoic acid A chemical structure, C27H36O3, CAS 910333-81-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
910333-81-2
Formula
C27H36O3
Molar mass
408.58 g/mol
HS code
291830
Category
Screening compounds

What is (-)-Spiculoic acid A?

Plain description, key identifiers and synonyms

(-)-Spiculoic acid A is a chemical substance with the molecular formula C27H36O3 and a molar mass of 408.58 g/mol. Its CAS registry number is 910333-81-2. The IUPAC name is (1S,3S,3aR,4R,5S,7aR)-3,4,5,7-tetraethyl-1-methyl-2-oxo-5-[(E)-2-phenylethenyl]-1,3,3a,7a-tetrahydroindene-4-carboxylic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S,3S,3aR,4R,5S,7aR)-3,4,5,7-tetraethyl-1-methyl-2-oxo-5-[(E)-2-phenylethenyl]-1,3,3a,7a-tetrahydroindene-4-carboxylic acid
CAS number
910333-81-2
Molecular formula
C27H36O3
InChIKey
ALLQJQBDLUMIQH-SVGSLFQBSA-N
InChI
InChI=1S/C27H36O3/c1-6-20-17-26(8-3,16-15-19-13-11-10-12-14-19)27(9-4,25(29)30)23-21(7-2)24(28)18(5)22(20)23/h10-18,21-23H,6-9H2,1-5H3,(H,29,30)/b16-15+/t18-,21-,22+,23-,26-,27-/m0/s1
Canonical SMILES
CCC1=CC(C=Cc2ccccc2)(CC)C(CC)(C(=O)O)C2C(CC)C(=O)C(C)C12
Isomeric SMILES
CC[C@H]1[C@H]2[C@H]([C@@H](C1=O)C)C(=C[C@]([C@]2(CC)C(=O)O)(CC)/C=C/C3=CC=CC=C3)CC

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
408.58 g/molcalc.
Exact mass
408.2664 Dacalc.
LogP (octanol/water)
6.4calc.
Topological polar surface area
54.37 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
7calc.
Heavy atoms
30calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.56calc.
Formal charge
0calc.
Stereocentres
6calc.
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=C1CC2C=CC(C=Cc3ccccc3)CC2C1

O=C1CC2C=CC(C=Cc3ccccc3)CC2C1

3 rings, 18 atoms.

4 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.

(-)-Spiculoic acid A suppliers

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(-)-Spiculoic acid 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 (-)-Spiculoic acid A is traded under.

HS 2918.30Indicative HS code

Carboxylic acids with aldehyde or ketone function but without other oxygen function…

World exports in 2024
$813M
−39.8% vs 2023, imports $1.23B
2019 to 2024
Top exporters
  1. China43.3%
  2. India * partner reported10.4%
  3. United States6.8%
Top importers
  1. Singapore33.1%
  2. Germany7.2%
  3. Japan6.9%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about (-)-Spiculoic acid A, based on the data on this page

What is (-)-Spiculoic acid A?

(-)-Spiculoic acid A is a chemical substance with the molecular formula C27H36O3 and a molar mass of 408.58 g/mol. Its CAS registry number is 910333-81-2. The IUPAC name is (1S,3S,3aR,4R,5S,7aR)-3,4,5,7-tetraethyl-1-methyl-2-oxo-5-[(E)-2-phenylethenyl]-1,3,3a,7a-tetrahydroindene-4-carboxylic acid.

What is the CAS number of (-)-Spiculoic acid A?

The CAS registry number of (-)-Spiculoic acid A is 910333-81-2.

What is the molecular formula and weight of (-)-Spiculoic acid A?

The molecular formula of (-)-Spiculoic acid A is C27H36O3 and its molar mass is 408.58 g/mol.

What is (-)-Spiculoic acid A used for?

Known uses and roles of (-)-Spiculoic acid A include building blocks in research and laboratory and screening compounds in research and laboratory.

Is (-)-Spiculoic acid A hazardous?

No GHS hazard classification for (-)-Spiculoic acid 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 (-)-Spiculoic acid A?

(-)-Spiculoic acid A is usually classified under HS code 291830 (Carboxylic acids with aldehyde or ketone function but without other oxygen function…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy (-)-Spiculoic acid A?

Post a free request on CompoundList and suppliers of (-)-Spiculoic acid A will send you quotes. Your contact details stay private until you accept a quote.

What is the price of (-)-Spiculoic acid A?

Suppliers quote (-)-Spiculoic acid 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 (-)-Spiculoic acid 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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