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Screening compounds

Basilol

CAS 942591-86-8Formula C37H52O4Molar mass 560.82 g/mol
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Basilol chemical structure, C37H52O4, CAS 942591-86-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
942591-86-8
Formula
C37H52O4
Molar mass
560.82 g/mol
HS code
291819
Category
Screening compounds

What is Basilol?

Plain description, key identifiers and synonyms

Basilol has been reported in Ocimum basilicum.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4-formylphenyl) (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
CAS number
942591-86-8
Molecular formula
C37H52O4
InChIKey
CQHCJXYZMUYPIT-GBVPUKILSA-N
InChI
InChI=1S/C37H52O4/c1-32(2)18-20-37(31(40)41-25-10-8-24(23-38)9-11-25)21-19-35(6)26(27(37)22-32)12-13-29-34(5)16-15-30(39)33(3,4)28(34)14-17-36(29,35)7/h8-12,23,27-30,39H,13-22H2,1-7H3/t27-,28-,29+,30-,34-,35+,36+,37-/m0/s1
Canonical SMILES
CC1(C)CCC2(C(=O)Oc3ccc(C=O)cc3)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
Isomeric SMILES
C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)OC6=CC=C(C=C6)C=O)C)C)(C)C)O

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
560.82 g/molcalc.
Exact mass
560.3866 Dacalc.
LogP (octanol/water)
8.57calc.
Topological polar surface area
63.6 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
3calc.
Heavy atoms
41calc.
Rings
6calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.73calc.
Formal charge
0calc.
Stereocentres
8calc.
Lipinski rule of five
Fails (2 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(Oc1ccccc1)C12CCCCC1C1=CCC3C4CCCCC4CCC3C1CC2

O=C(Oc1ccccc1)C12CCCCC1C1=CCC3C4CCCCC4CCC3C1CC2

6 rings, 31 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.

Basilol suppliers

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

Frequently asked questions

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

What is Basilol?

Basilol has been reported in Ocimum basilicum.

What is the CAS number of Basilol?

The CAS registry number of Basilol is 942591-86-8.

What is the molecular formula and weight of Basilol?

The molecular formula of Basilol is C37H52O4 and its molar mass is 560.82 g/mol.

What is Basilol used for?

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

Is Basilol hazardous?

No GHS hazard classification for Basilol 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 Basilol?

Basilol 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 Basilol?

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

What is the price of Basilol?

Suppliers quote Basilol 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 Basilol

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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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