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Screening compounds

Ambuic acid

Also known as (E)-4-[(1R,5R,6R)-3-[(E)-hept-1-enyl]-5-hydroxy-4-(hydroxymethyl)-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-2-methylbut-2-enoic acid, (E)-4-((1R,5R,6R)-3-((E)-hept-1-enyl)-5-hydroxy-4-(hydroxymethyl)-2-oxo-7-oxabicyclo(4.1.0)hept-3-en-1-yl)-2-methylbut-2-enoic acid, (E)-4-(3-((E)-hept-1-enyl)-5-hydroxy-4-(hydroxymethyl)-2-oxo-7-oxabicyclo(4.1.0)hept-3-en-1-yl)-2-methylbut-2-enoic acid

CAS 340774-69-8Formula C19H26O6Molar mass 350.41 g/mol
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Ambuic acid chemical structure, C19H26O6, CAS 340774-69-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
340774-69-8
Formula
C19H26O6
Molar mass
350.41 g/mol
HS code
291899
Category
Screening compounds

What is Ambuic acid?

Plain description, key identifiers and synonyms

Ambuic acid is a chemical substance with the molecular formula C19H26O6 and a molar mass of 350.41 g/mol. Its CAS registry number is 340774-69-8. The IUPAC name is (E)-4-[(1R,5R,6R)-3-[(E)-hept-1-enyl]-5-hydroxy-4-(hydroxymethyl)-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-2-methylbut-2-enoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(E)-4-[(1R,5R,6R)-3-[(E)-hept-1-enyl]-5-hydroxy-4-(hydroxymethyl)-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-2-methylbut-2-enoic acid
CAS number
340774-69-8
Molecular formula
C19H26O6
MDL number
MFCD28898930
InChIKey
UDSQZJMGPSRCEM-HDKVZZTHSA-N
InChI
InChI=1S/C19H26O6/c1-3-4-5-6-7-8-13-14(11-20)15(21)17-19(25-17,16(13)22)10-9-12(2)18(23)24/h7-9,15,17,20-21H,3-6,10-11H2,1-2H3,(H,23,24)/b8-7+,12-9+/t15-,17-,19+/m1/s1
Canonical SMILES
CCCCCC=CC1=C(CO)C(O)C2OC2(CC=C(C)C(=O)O)C1=O
Isomeric SMILES
CCCCC/C=C/C1=C([C@H]([C@@H]2[C@](C1=O)(O2)C/C=C(\C)/C(=O)O)O)CO

Synonyms

  • (E)-4-[(1R,5R,6R)-3-[(E)-hept-1-enyl]-5-hydroxy-4-(hydroxymethyl)-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-2-methylbut-2-enoic acid
  • (E)-4-((1R,5R,6R)-3-((E)-hept-1-enyl)-5-hydroxy-4-(hydroxymethyl)-2-oxo-7-oxabicyclo(4.1.0)hept-3-en-1-yl)-2-methylbut-2-enoic acid
  • (E)-4-(3-((E)-hept-1-enyl)-5-hydroxy-4-(hydroxymethyl)-2-oxo-7-oxabicyclo(4.1.0)hept-3-en-1-yl)-2-methylbut-2-enoic acid
  • (E)-4-((1R,2S,6R)-4-((E)-hept-1-enyl)-2-hydroxy-3-(hydroxymethyl)-5-oxo-7-oxabicyclo(4.1.0)hept-3-en-6-yl)-2-methylbut-2-enoic acid
  • (+)-Ambuic Acid
  • (2E)-4-[(1R,5R,6R)-3-(1E)-1-Hepten-1-yl-5-hydroxy-4-(hydroxymethyl)-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-2-methyl-2-butenoic acid
  • (2E)-4-[(1R,5R,6R)-3-(1E)-1-Hepten-1-yl-5-hydroxy-4-(hydroxymethyl)-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-2-methyl-2-butenoicacid
  • (2E)-4-[(1R,5R,6R)-3-[(1E)-hept-1-en-1-yl]-5-hydroxy-4-(hydroxymethyl)-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-2-methylbut-2-enoic acid
  • (E)-4-[(1R,2R,6R)-4-[(E)-Hept-1-enyl]-2-hydroxy-3-(hydroxymethyl)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-6-yl]-2-methylbut-2-enoic acid
  • (E)-4-[(1R,5R,6R)-3-[(E)-hept-1-enyl]-5-hydroxy-4-(hydroxymethyl)-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-2-methyl-but-2-enoic 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
350.41 g/molcalc.
Exact mass
350.1729 Dacalc.
LogP (octanol/water)
1.91calc.
Topological polar surface area
107.4 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
9calc.
Heavy atoms
25calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.58calc.
Formal charge
0calc.
Stereocentres
3calc.
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, O=C1C=CCC2OC12

O=C1C=CCC2OC12

2 rings, 8 atoms.

32 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.

Ambuic acid suppliers

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All 2 suppliers

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Where suppliers are based

2 suppliers in 2 countries

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Ambuic acid price

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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 Ambuic acid is traded under.

HS 2918.99Indicative HS code

Carboxylic acids, with additional oxygen function (not alcohol, phenol, aldehyde or ketone)…

World exports in 2024
$1.46B
−1.1% vs 2023, imports $1.54B
2019 to 2024
Top exporters
  1. China40.0%
  2. India * partner reported26.6%
  3. Germany8.0%
Top importers
  1. United States25.6%
  2. Brazil6.7%
  3. Argentina5.9%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Ambuic acid?

Ambuic acid is a chemical substance with the molecular formula C19H26O6 and a molar mass of 350.41 g/mol. Its CAS registry number is 340774-69-8. The IUPAC name is (E)-4-[(1R,5R,6R)-3-[(E)-hept-1-enyl]-5-hydroxy-4-(hydroxymethyl)-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-2-methylbut-2-enoic acid.

What is the CAS number of Ambuic acid?

The CAS registry number of Ambuic acid is 340774-69-8.

What is the molecular formula and weight of Ambuic acid?

The molecular formula of Ambuic acid is C19H26O6 and its molar mass is 350.41 g/mol.

What is Ambuic acid used for?

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

Is Ambuic acid hazardous?

No GHS hazard classification for Ambuic 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 Ambuic acid?

Ambuic acid is usually classified under HS code 291899 (Carboxylic acids with additional oxygen function and their anhydrides, halides…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Ambuic acid?

CompoundList lists 2 suppliers of Ambuic acid in Australia and United Kingdom. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Ambuic acid?

Suppliers quote Ambuic acid 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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