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Screening compounds

Acacic acid

Also known as 3beta,16alpha,21beta-trihydroxyolean-12-en-28-oic acid, Olean-12-en-28-oic acid, 3,16,21-trihydroxy-, (3beta,16alpha,21beta)-, (3beta,16alpha,21beta)-3,16,21-trihydroxyolean-12-en-28-oic acid

CAS 1962-14-7Formula C30H48O5Molar mass 488.71 g/mol
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Acacic acid chemical structure, C30H48O5, CAS 1962-14-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1962-14-7
Formula
C30H48O5
Molar mass
488.71 g/mol
HS code
291819
Category
Screening compounds

What is Acacic acid?

Plain description, key identifiers and synonyms

Acacic acid is a pentacyclic triterpenoid that is olean-12-ene substituted by carboxy group at position 28 and hydroxy groups at positions 3, 16 and 21 (the 3beta,16alpha,21beta stereoisomer). It has a role as a metabolite. It is a pentacyclic triterpenoid and a hydroxy monocarboxylic acid. It derives from a hydride of an oleanane.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3S,4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-3,5,10-trihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
CAS number
1962-14-7
Molecular formula
C30H48O5
UNII
Q40GL8U88D
InChIKey
CFKXWTNHIJAFNL-OOURDANISA-N
InChI
InChI=1S/C30H48O5/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(31)26(3,4)19(27)10-13-28(20,6)29(17,7)15-23(33)30(18,24(34)35)16-22(25)32/h8,18-23,31-33H,9-16H2,1-7H3,(H,34,35)/t18-,19-,20+,21-,22-,23+,27-,28+,29+,30+/m0/s1
Canonical SMILES
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(C(=O)O)CC1O
Isomeric SMILES
C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@H]([C@@]5([C@H]4CC([C@H](C5)O)(C)C)C(=O)O)O)C)C)(C)C)O

Synonyms

  • 3beta,16alpha,21beta-trihydroxyolean-12-en-28-oic acid
  • Olean-12-en-28-oic acid, 3,16,21-trihydroxy-, (3beta,16alpha,21beta)-
  • (3beta,16alpha,21beta)-3,16,21-trihydroxyolean-12-en-28-oic 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
488.71 g/molcalc.
Exact mass
488.3502 Dacalc.
LogP (octanol/water)
5.18calc.
Topological polar surface area
97.99 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
1calc.
Heavy atoms
35calc.
Rings
5calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.9calc.
Formal charge
0calc.
Stereocentres
10calc.
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, C1=C2C3CCCCC3CCC2C2CCC3CCCCC3C2C1

C1=C2C3CCCCC3CCC2C2CCC3CCCCC3C2C1

5 rings, 22 atoms.

402 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.

Acacic acid suppliers

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Acacic 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

Roles

  • metabolite

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

Frequently asked questions

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

What is Acacic acid?

Acacic acid is a pentacyclic triterpenoid that is olean-12-ene substituted by carboxy group at position 28 and hydroxy groups at positions 3, 16 and 21 (the 3beta,16alpha,21beta stereoisomer). It has a role as a metabolite. It is a pentacyclic triterpenoid and a hydroxy monocarboxylic acid.

What is the CAS number of Acacic acid?

The CAS registry number of Acacic acid is 1962-14-7.

What is the molecular formula and weight of Acacic acid?

The molecular formula of Acacic acid is C30H48O5 and its molar mass is 488.71 g/mol.

What is Acacic acid used for?

Known uses and roles of Acacic acid include building blocks in research and laboratory, screening compounds in research and laboratory and metabolite.

Is Acacic acid hazardous?

No GHS hazard classification for Acacic 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 Acacic acid?

Acacic 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 Acacic acid?

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What is the price of Acacic acid?

Suppliers quote Acacic 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 Acacic 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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