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Aliphatic and alicyclic building blocks

Shellolic acid

Also known as 10beta,13-Dihydroxycedr-8-ene-12,15-dioic acid, 1H-3a,7-Methanoazulene-3,6-dicarboxylic acid, 2,3,4,7,8,8a-hexahydro-4-hydroxy-8-(hydroxymethyl)-8-methyl-, (3R,3aS,4S,7R,8S,8aS)-, (1S,2R,5S,6S,7R,10S)-10-hydroxy-6-(hydroxymethyl)-6-methyltricyclo[5.3.1.01,5]undec-8-ene-2,8-dicarboxylic acid

CAS 4448-95-7Formula C15H20O6Molar mass 296.32 g/mol
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Shellolic acid chemical structure, C15H20O6, CAS 4448-95-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
4448-95-7
Formula
C15H20O6
Molar mass
296.32 g/mol
HS code
291819
Category
Aliphatic and alicyclic building blocks

What is Shellolic acid?

Plain description, key identifiers and synonyms

Shellolic acid is a chemical substance with the molecular formula C15H20O6 and a molar mass of 296.32 g/mol. Its CAS registry number is 4448-95-7. The IUPAC name is (1S,2R,5S,6S,7R,10S)-10-hydroxy-6-(hydroxymethyl)-6-methyltricyclo[5.3.1.01,5]undec-8-ene-2,8-dicarboxylic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S,2R,5S,6S,7R,10S)-10-hydroxy-6-(hydroxymethyl)-6-methyltricyclo[5.3.1.01,5]undec-8-ene-2,8-dicarboxylic acid
CAS number
4448-95-7
Molecular formula
C15H20O6
UNII
82XGF31Q2Y
InChIKey
WSASFFHWOQGSER-MUAIWGBPSA-N
InChI
InChI=1S/C15H20O6/c1-14(6-16)9-5-15(11(17)4-7(9)12(18)19)8(13(20)21)2-3-10(14)15/h4,8-11,16-17H,2-3,5-6H2,1H3,(H,18,19)(H,20,21)/t8-,9-,10-,11-,14+,15+/m0/s1
Canonical SMILES
CC1(CO)C2CC3(C(O)C=C2C(=O)O)C(C(=O)O)CCC13
Isomeric SMILES
C[C@@]1([C@@H]2CC[C@H]([C@]23C[C@H]1C(=C[C@@H]3O)C(=O)O)C(=O)O)CO

Synonyms

  • 10beta,13-Dihydroxycedr-8-ene-12,15-dioic acid
  • 1H-3a,7-Methanoazulene-3,6-dicarboxylic acid, 2,3,4,7,8,8a-hexahydro-4-hydroxy-8-(hydroxymethyl)-8-methyl-, (3R,3aS,4S,7R,8S,8aS)-
  • (1S,2R,5S,6S,7R,10S)-10-hydroxy-6-(hydroxymethyl)-6-methyltricyclo[5.3.1.01,5]undec-8-ene-2,8-dicarboxylic 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
296.32 g/molcalc.
Exact mass
296.126 Dacalc.
LogP (octanol/water)
0.49calc.
Topological polar surface area
115.1 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
3calc.
Heavy atoms
21calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.73calc.
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=CC2CC3CCCC3(C1)C2

C1=CC2CC3CCCC3(C1)C2

3 rings, 11 atoms.

18 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.

Shellolic acid suppliers

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

Frequently asked questions

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

What is Shellolic acid?

Shellolic acid is a chemical substance with the molecular formula C15H20O6 and a molar mass of 296.32 g/mol. Its CAS registry number is 4448-95-7. The IUPAC name is (1S,2R,5S,6S,7R,10S)-10-hydroxy-6-(hydroxymethyl)-6-methyltricyclo[5.3.1.01,5]undec-8-ene-2,8-dicarboxylic acid.

What is the CAS number of Shellolic acid?

The CAS registry number of Shellolic acid is 4448-95-7.

What is the molecular formula and weight of Shellolic acid?

The molecular formula of Shellolic acid is C15H20O6 and its molar mass is 296.32 g/mol.

What is Shellolic acid used for?

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

Is Shellolic acid hazardous?

No GHS hazard classification for Shellolic 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 Shellolic acid?

Shellolic acid 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 Shellolic acid?

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

What is the price of Shellolic acid?

Suppliers quote Shellolic 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 Shellolic acid

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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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