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Screening compounds

Arabidiol

Also known as (3R,3aR,5aR,7S,9aR,9bR)-3-[(2R,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-3a,6,6,9a-tetramethyldodecahydro-1H-cyclopenta[a]naphthalen-7-ol, (3R,3aR,5aR,7S,9aR,9bR)-3-((2R,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl)-3a,6,6,9a-tetramethyldodecahydro-1H-cyclopenta(a)naphthalen-7-ol, (13R)-malabarica-17,21-diene-3beta,14-diol

CAS 845796-91-0Formula C30H52O2Molar mass 444.74 g/mol
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Arabidiol chemical structure, C30H52O2, CAS 845796-91-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
845796-91-0
Formula
C30H52O2
Molar mass
444.74 g/mol
HS code
290619
Category
Screening compounds

What is Arabidiol?

Plain description, key identifiers and synonyms

Arabidiol is a tricyclic triterpenoid that is perhydro-1H-cyclopenta[a]naphthalene that is substituted bu methyl groups at positions 3a, 6, 6, and 9a, by a hydroxy group at position 7, and by a (2R,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl group at position 3 (the 3R,3aR,5aR,7S,9aR,9bR-isomer). It is a tertiary alcohol, a secondary alcohol and a tricyclic triterpenoid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3R,3aR,5aR,7S,9aR,9bR)-3-[(2R,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-3a,6,6,9a-tetramethyl-1,2,3,4,5,5a,7,8,9,9b-decahydrocyclopenta[a]naphthalen-7-ol
CAS number
845796-91-0
Molecular formula
C30H52O2
InChIKey
KCSCTOANDBOIGV-ZFAZNOKVSA-N
InChI
InChI=1S/C30H52O2/c1-21(2)11-9-12-22(3)13-10-18-30(8,32)25-15-14-24-28(6)20-17-26(31)27(4,5)23(28)16-19-29(24,25)7/h11,13,23-26,31-32H,9-10,12,14-20H2,1-8H3/b22-13+/t23-,24+,25+,26-,28-,29+,30+/m0/s1
Canonical SMILES
CC(C)=CCCC(C)=CCCC(C)(O)C1CCC2C1(C)CCC1C(C)(C)C(O)CCC12C
Isomeric SMILES
CC(=CCC/C(=C/CC[C@](C)([C@@H]1CC[C@H]2[C@]1(CC[C@@H]3[C@@]2(CC[C@@H](C3(C)C)O)C)C)O)/C)C

Synonyms

  • (3R,3aR,5aR,7S,9aR,9bR)-3-[(2R,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-3a,6,6,9a-tetramethyldodecahydro-1H-cyclopenta[a]naphthalen-7-ol
  • (3R,3aR,5aR,7S,9aR,9bR)-3-((2R,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl)-3a,6,6,9a-tetramethyldodecahydro-1H-cyclopenta(a)naphthalen-7-ol
  • (13R)-malabarica-17,21-diene-3beta,14-diol
  • (13R,14R,17E)-Malabarica-17,21-diene-3beta,14-diol
  • (13R, 14R, 17E)-malabarica-17,21-diene-3beta,14-diol
  • (I+/-R,3R,3aR,5aR,7S,9aR,9bR)-I+/--[(3E)-4,8-Dimethyl-3,7-nonadien-1-yl]dodecahydro-7-hydroxy-I+/-,3a,6,6,9a-pentamethyl-1H-benz[e]indene-3-methanol

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
444.74 g/molcalc.
Exact mass
444.3967 Dacalc.
LogP (octanol/water)
7.84calc.
Topological polar surface area
40.46 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
7calc.
Heavy atoms
32calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.87calc.
Formal charge
0calc.
Stereocentres
7calc.
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, C1CCC2C(C1)CCC1CCCC12

C1CCC2C(C1)CCC1CCCC12

3 rings, 13 atoms.

17 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.

Arabidiol suppliers

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

Frequently asked questions

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

What is Arabidiol?

Arabidiol is a tricyclic triterpenoid that is perhydro-1H-cyclopenta[a]naphthalene that is substituted bu methyl groups at positions 3a, 6, 6, and 9a, by a hydroxy group at position 7, and by a (2R,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl group at position 3 (the 3R,3aR,5aR,7S,9aR,9bR-isomer).

What is the CAS number of Arabidiol?

The CAS registry number of Arabidiol is 845796-91-0.

What is the molecular formula and weight of Arabidiol?

The molecular formula of Arabidiol is C30H52O2 and its molar mass is 444.74 g/mol.

What is Arabidiol used for?

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

Is Arabidiol hazardous?

No GHS hazard classification for Arabidiol 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 Arabidiol?

Arabidiol 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 Arabidiol?

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

What is the price of Arabidiol?

Suppliers quote Arabidiol 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 Arabidiol

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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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