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Screening compounds

Thalianol

Also known as (13R,14R,17E)-podioda-8,17,21-trien-3beta-ol, (3S,13S,14R)-malabarica-8,17,21-trien-3-ol, (3R,5aR,7S,9aS)-3-[(2R,5E)-6,10-dimethylundeca-5,9-dien-2-yl]-3,6,6,9a-tetramethyl-2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-cyclopenta[a]naphthalen-7-ol

CAS 690259-33-7Formula C30H50OMolar mass 426.73 g/mol
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Thalianol chemical structure, C30H50O, CAS 690259-33-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
690259-33-7
Formula
C30H50O
Molar mass
426.73 g/mol
HS code
290619
Category
Screening compounds

What is Thalianol?

Plain description, key identifiers and synonyms

Thalianol is a tricyclic triterpenoid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3R,5aR,7S,9aS)-3-[(2R,5E)-6,10-dimethylundeca-5,9-dien-2-yl]-3,6,6,9a-tetramethyl-1,2,4,5,5a,7,8,9-octahydrocyclopenta[a]naphthalen-7-ol
CAS number
690259-33-7
Molecular formula
C30H50O
InChIKey
DGAGPZOBTQYNRE-VMSIWEJCSA-N
InChI
InChI=1S/C30H50O/c1-21(2)11-9-12-22(3)13-10-14-23(4)29(7)19-17-25-24(29)15-16-26-28(5,6)27(31)18-20-30(25,26)8/h11,13,23,26-27,31H,9-10,12,14-20H2,1-8H3/b22-13+/t23-,26+,27+,29-,30-/m1/s1
Canonical SMILES
CC(C)=CCCC(C)=CCCC(C)C1(C)CCC2=C1CCC1C2(C)CCC(O)C1(C)C
Isomeric SMILES
C[C@H](CC/C=C(\C)/CCC=C(C)C)[C@]1(CCC2=C1CC[C@@H]3[C@@]2(CC[C@@H](C3(C)C)O)C)C

Synonyms

  • (13R,14R,17E)-podioda-8,17,21-trien-3beta-ol
  • (3S,13S,14R)-malabarica-8,17,21-trien-3-ol
  • (3R,5aR,7S,9aS)-3-[(2R,5E)-6,10-dimethylundeca-5,9-dien-2-yl]-3,6,6,9a-tetramethyl-2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-cyclopenta[a]naphthalen-7-ol
  • (3R,5aR,7S,9aS)-3-((2R,5E)-6,10-dimethylundeca-5,9-dien-2-yl)-3,6,6,9a-tetramethyl-2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-cyclopenta(a)naphthalen-7-ol
  • (3S,13S, 3R)-malabarica-8,17,21-trien-3-ol (obsolete)
  • (13R,14R,17E)-podioda-8,17,21-trien-3beta-ol, (3S,13S,14R)-malabarica-8,17,21-trien-3-ol
  • (3R,5aR,7S,9aS)-3-[(2R,5E)-6,10-dimethylundeca-5,9-dien-2-yl]-3,6,6,9a-tetramethyl-1,2,4,5,5a,7,8,9-octahydrocyclopenta[a]naphthalen-7-ol

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
426.73 g/molcalc.
Exact mass
426.3862 Dacalc.
LogP (octanol/water)
8.79calc.
Topological polar surface area
20.23 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
7calc.
Heavy atoms
31calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.8calc.
Formal charge
0calc.
Stereocentres
5calc.
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, C1CC2=C(C1)C1CCCCC1CC2

C1CC2=C(C1)C1CCCCC1CC2

3 rings, 13 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.

Thalianol suppliers

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Thalianol 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 Thalianol is traded under.

HS 2906.19Indicative HS code

Cyclanic, cyclenic or cycloterpenic, other

World exports in 2024
$613M
+18.7% vs 2023, imports $606M
2019 to 2024
Top exporters
  1. China34.2%
  2. India * partner reported10.1%
  3. Germany9.5%
Top importers
  1. United States19.8%
  2. Germany9.0%
  3. India * partner reported8.4%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Thalianol?

Thalianol is a tricyclic triterpenoid.

What is the CAS number of Thalianol?

The CAS registry number of Thalianol is 690259-33-7.

What is the molecular formula and weight of Thalianol?

The molecular formula of Thalianol is C30H50O and its molar mass is 426.73 g/mol.

What is Thalianol used for?

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

Is Thalianol hazardous?

No GHS hazard classification for Thalianol 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 Thalianol?

Thalianol is usually classified under HS code 290619 (Cyclanic, cyclenic or cycloterpenic, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Thalianol?

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

What is the price of Thalianol?

Suppliers quote Thalianol 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 Thalianol

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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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