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Screening compounds

Methyl oleanolate acetate

Also known as Methyl (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-acetyloxy-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, Olean-12-en-28-oic acid, 3-(acetyloxy)-, methyl ester, (3beta)-, 3|A-Acetyloxyolean-12-en-28-oic acid methyl ester

CAS 1721-57-9Formula C33H52O4Molar mass 512.78 g/mol
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Methyl oleanolate acetate chemical structure, C33H52O4, CAS 1721-57-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1721-57-9
Formula
C33H52O4
Molar mass
512.78 g/mol
HS code
291819
Category
Screening compounds

What is Methyl oleanolate acetate?

Plain description, key identifiers and synonyms

Methyl oleanolate acetate has been reported in Phytolacca dodecandra, Caesalpinia volkensii, and other organisms.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-acetyloxy-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
1721-57-9
Molecular formula
C33H52O4
InChIKey
VTZCFEUQVQTSSV-LVNUYWAMSA-N
InChI
InChI=1S/C33H52O4/c1-21(34)37-26-13-14-30(6)24(29(26,4)5)12-15-32(8)25(30)11-10-22-23-20-28(2,3)16-18-33(23,27(35)36-9)19-17-31(22,32)7/h10,23-26H,11-20H2,1-9H3/t23-,24-,25+,26-,30-,31+,32+,33-/m0/s1
Canonical SMILES
COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(OC(C)=O)C(C)(C)C4CCC3(C)C1(C)CC2
Isomeric SMILES
CC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)OC)C)C)C

Synonyms

  • Methyl (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-acetyloxy-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
  • Olean-12-en-28-oic acid, 3-(acetyloxy)-, methyl ester, (3beta)-
  • 3|A-Acetyloxyolean-12-en-28-oic acid methyl ester
  • Olean-12-en-28-oic acid, 3-(acetyloxy)-, methyl ester, (3|_)-

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
512.78 g/molcalc.
Exact mass
512.3866 Dacalc.
LogP (octanol/water)
7.89calc.
Topological polar surface area
52.6 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
2calc.
Heavy atoms
37calc.
Rings
5calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.88calc.
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, 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.

Methyl oleanolate acetate suppliers

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

Frequently asked questions

Quick answers about Methyl oleanolate acetate, based on the data on this page

What is Methyl oleanolate acetate?

Methyl oleanolate acetate has been reported in Phytolacca dodecandra, Caesalpinia volkensii, and other organisms.

What is the CAS number of Methyl oleanolate acetate?

The CAS registry number of Methyl oleanolate acetate is 1721-57-9.

What is the molecular formula and weight of Methyl oleanolate acetate?

The molecular formula of Methyl oleanolate acetate is C33H52O4 and its molar mass is 512.78 g/mol.

What is Methyl oleanolate acetate used for?

Known uses and roles of Methyl oleanolate acetate include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Methyl oleanolate acetate hazardous?

No GHS hazard classification for Methyl oleanolate acetate 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 Methyl oleanolate acetate?

Methyl oleanolate acetate 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 Methyl oleanolate acetate?

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

What is the price of Methyl oleanolate acetate?

Suppliers quote Methyl oleanolate acetate 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 Methyl oleanolate acetate

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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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