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Heterocyclic building blocks

Alatolin

Also known as [(1S,2R,4S,5R,6S,7S,8R,9R,12R)-7,12-diacetyloxy-6-(acetyloxymethyl)-5,8-dibenzoyloxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-4-yl] benzoate

CAS 60389-86-8Formula C42H44O13Molar mass 756.80 g/mol
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Alatolin chemical structure, C42H44O13, CAS 60389-86-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
60389-86-8
Formula
C42H44O13
Molar mass
756.80 g/mol
HS code
293299
Category
Heterocyclic building blocks

What is Alatolin?

Plain description, key identifiers and synonyms

Alatolin is a chemical substance with the molecular formula C42H44O13 and a molar mass of 756.80 g/mol. Its CAS registry number is 60389-86-8. The IUPAC name is [(1S,2R,4S,5R,6S,7S,8R,9R,12R)-7,12-diacetyloxy-6-(acetyloxymethyl)-5,8-dibenzoyloxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-4-yl] benzoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1S,2R,4S,5R,6S,7S,8R,9R,12R)-7,12-diacetyloxy-6-(acetyloxymethyl)-5,8-dibenzoyloxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-4-yl] benzoate
CAS number
60389-86-8
Molecular formula
C42H44O13
InChIKey
MGHSCXCFVZJHPT-SHPXBDENSA-N
InChI
InChI=1S/C42H44O13/c1-24-22-31(52-37(46)28-16-10-7-11-17-28)34(54-39(48)30-20-14-9-15-21-30)41(23-49-25(2)43)36(51-27(4)45)33(53-38(47)29-18-12-8-13-19-29)32-35(50-26(3)44)42(24,41)55-40(32,5)6/h7-21,24,31-36H,22-23H2,1-6H3/t24-,31+,32-,33-,34+,35-,36-,41+,42-/m1/s1
Canonical SMILES
CC(=O)OCC12C(OC(=O)c3ccccc3)C(OC(=O)c3ccccc3)CC(C)C13OC(C)(C)C(C(OC(=O)c1ccccc1)C2OC(C)=O)C3OC(C)=O
Isomeric SMILES
C[C@@H]1C[C@@H]([C@@H]([C@@]2([C@]13[C@@H]([C@@H]([C@H]([C@H]2OC(=O)C)OC(=O)C4=CC=CC=C4)C(O3)(C)C)OC(=O)C)COC(=O)C)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

Synonyms

  • [(1S,2R,4S,5R,6S,7S,8R,9R,12R)-7,12-diacetyloxy-6-(acetyloxymethyl)-5,8-dibenzoyloxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-4-yl] benzoate

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
756.80 g/molcalc.
Exact mass
756.2782 Dacalc.
LogP (octanol/water)
5.29calc.
Topological polar surface area
167 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
13calc.
Rotatable bonds
10calc.
Heavy atoms
55calc.
Rings
6calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.43calc.
Formal charge
0calc.
Stereocentres
9calc.
Lipinski rule of five
Fails (3 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, O=C(OC1CC2C(OC(=O)c3ccccc3)C(OC(=O)c3ccccc3)CCC23CC1CO3)c1ccccc1

O=C(OC1CC2C(OC(=O)c3ccccc3)C(OC(=O)c3ccccc3)CCC23CC1CO3)c1ccccc1

6 rings, 39 atoms.

No other chemical in our database has 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.

Alatolin suppliers

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Alatolin 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 Alatolin is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Alatolin?

Alatolin is a chemical substance with the molecular formula C42H44O13 and a molar mass of 756.80 g/mol. Its CAS registry number is 60389-86-8. The IUPAC name is [(1S,2R,4S,5R,6S,7S,8R,9R,12R)-7,12-diacetyloxy-6-(acetyloxymethyl)-5,8-dibenzoyloxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-4-yl] benzoate.

What is the CAS number of Alatolin?

The CAS registry number of Alatolin is 60389-86-8.

What is the molecular formula and weight of Alatolin?

The molecular formula of Alatolin is C42H44O13 and its molar mass is 756.80 g/mol.

What is Alatolin used for?

Known uses and roles of Alatolin include cooling agents in flavors and fragrances and building blocks in research and laboratory.

Is Alatolin hazardous?

No GHS hazard classification for Alatolin 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 Alatolin?

Alatolin is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Alatolin?

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

What is the price of Alatolin?

Suppliers quote Alatolin 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 Alatolin

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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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