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Screening compounds

Acevaltrate

Also known as Acevaltratum, Acevaltrato, [(1S,6S,7R,7aS)-4-(acetyloxymethyl)-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-6-yl] 3-acetyloxy-3-methylbutanoate

CAS 25161-41-5Formula C24H32O10Molar mass 480.51 g/molEC 246-685-1
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Acevaltrate chemical structure, C24H32O10, CAS 25161-41-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
25161-41-5
Formula
C24H32O10
Molar mass
480.51 g/mol
EC number
246-685-1
HS code
293299
Category
Screening compounds

What is Acevaltrate?

Plain description, key identifiers and synonyms

Acevaltrate is a fatty acid ester.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1S,6S,7R,7aS)-4-(acetyloxymethyl)-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-6-yl] 3-acetyloxy-3-methylbutanoate
CAS number
25161-41-5 CAS number cross-checked
EC number
246-685-1
Molecular formula
C24H32O10
UNII
S9MFK45GY9
MDL number
MFCD01741123
InChIKey
FWKBQAVMKVZEOT-STCFVSJZSA-N
InChI
InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1
Canonical SMILES
CC(=O)OCC1=COC(OC(=O)CC(C)C)C2C1=CC(OC(=O)CC(C)(C)OC(C)=O)C21CO1
Isomeric SMILES
CC(C)CC(=O)O[C@H]1[C@H]2C(=C[C@@H]([C@]23CO3)OC(=O)CC(C)(C)OC(=O)C)C(=CO1)COC(=O)C

Synonyms

  • Acevaltratum
  • Acevaltrato
  • [(1S,6S,7R,7aS)-4-(acetyloxymethyl)-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-6-yl] 3-acetyloxy-3-methylbutanoate
  • ((1S,6S,7R,7aS)-4-(acetyloxymethyl)-1-(3-methylbutanoyloxy)spiro(6,7a-dihydro-1H-cyclopenta(c)pyran-7,2'-oxirane)-6-yl) 3-acetyloxy-3-methylbutanoate
  • 4-((acetyloxy)methyl)-7-((3-methylbutanoyl)oxy)-7,7a-dihydro-2H-spiro(cyclopenta(c)pyran-1,2'-oxirane)-2-yl 3-(acetyloxy)-3-methylbutanoate
  • 4-[(acetyloxy)methyl]-7-[(3-methylbutanoyl)oxy]-7,7a-dihydro-2H-spiro[cyclopenta[c]pyran-1,2'-oxirane]-2-yl 3-(acetyloxy)-3-methylbutanoate
  • (4-(acetyloxymethyl)-1-(3-methylbutanoyloxy)spiro(6,7a-dihydro-1H-cyclopenta(c)pyran-7,2'-oxirane)-6-yl) 3-acetyloxy-3-methylbutanoate
  • Acetoxyvaltrate
  • Acetovaltrate
  • (Acetyloxy)valepotriate
  • Acevaltrat
  • (1S,6S,7R,7aS)-4-(Acetoxymethyl)-1-((3-methylbutanoyl)oxy)-6,7a-dihydro-1H-spiro[cyclopenta[c]pyran-7,2'-oxiran]-6-yl 3-acetoxy-3-methylbutanoate
  • 1,7a-Dihydro-1,6-dihydroxyspiro(cyclopenta(c)pyran-7(6H), 2'-oxirane)-4-methanol 4-acetate 1(or 6)-isovalerate 6(or 1)-(3-hydroxy-3-methylbutyrate, acetate)
  • 8-Dimethoxypsoralen
  • 1,7a-Dihydro-1,6-dihydroxyspiro(cyclopenta(c)pyran-7(6H),2-oxirane)-4-methanol 4-acetate 1(or 6)-isovalerate 6(or 1)-(3-hydroxy-3-methylbutyrate acetate
  • (1S,6S,7R,7aS)-4-[(acetyloxy)methyl]-1-[(3-methylbutanoyl)oxy]-6,7a-dihydro-1H-spiro[cyclopenta[c]pyran-7,2'-oxiran]-6-yl 3-(acetyloxy)-3-methylbutanoate
  • (1S,2'R,6S,7aS)-4-[(Acetyloxy)methyl]-1-[(3-methylbutanoyl)oxy]-6,7a-dihydro-1H-spiro[cyclopenta[c]pyran-7,2'-oxiran]-6-yl 3-(acetyloxy)-3-methylbutanoate
  • [(1S,6S,7R,7aS)-4-(acetoxymethyl)-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-6-yl] 3-acetoxy-3-methyl-butanoate

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
480.51 g/molcalc.
Exact mass
480.1995 Dacalc.
LogP (octanol/water)
2.35calc.
Topological polar surface area
127 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
9calc.
Heavy atoms
34calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.67calc.
Formal charge
0calc.
Stereocentres
4calc.
Lipinski rule of five
Passes (0 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=CC2=CCC3(CO3)C2CO1

C1=CC2=CCC3(CO3)C2CO1

3 rings, 11 atoms.

8 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.

Acevaltrate suppliers

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All 2 suppliers

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Where suppliers are based

2 suppliers in 1 country

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Acevaltrate 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 Acevaltrate is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Acevaltrate?

Acevaltrate is a fatty acid ester.

What is the CAS number of Acevaltrate?

The CAS registry number of Acevaltrate is 25161-41-5.

What is the molecular formula and weight of Acevaltrate?

The molecular formula of Acevaltrate is C24H32O10 and its molar mass is 480.51 g/mol.

What is Acevaltrate used for?

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

Is Acevaltrate hazardous?

No GHS hazard classification for Acevaltrate 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 Acevaltrate?

Acevaltrate is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Acevaltrate?

CompoundList lists 2 suppliers of Acevaltrate in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Acevaltrate?

Suppliers quote Acevaltrate on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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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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