CompoundList
Sign in
Heterocyclic compounds

Acetylgynuramine

Also known as ((1R,4E,6S,7S,17S)-4-Ethylidene-7-hydroxy-7-methyl-3,8-dioxo-2,9-dioxa-14-azatricyclo(9.5.1.0,)heptadec-11-en-6-yl)methyl acetic acid, [(1R,4E,6S,7S,17S)-4-Ethylidene-7-hydroxy-7-methyl-3,8-dioxo-2,9-dioxa-14-azatricyclo[9.5.1.0,]heptadec-11-en-6-yl]methyl acetic acid

CAS 85547-34-8Formula C20H27NO7Molar mass 393.44 g/mol
Get quotes Safety data
Acetylgynuramine chemical structure, C20H27NO7, CAS 85547-34-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
85547-34-8
Formula
C20H27NO7
Molar mass
393.44 g/mol
HS code
293499
Category
Heterocyclic compounds

What is Acetylgynuramine?

Plain description, key identifiers and synonyms

Acetylgynuramine is a chemical substance with the molecular formula C20H27NO7 and a molar mass of 393.44 g/mol. Its CAS registry number is 85547-34-8. The IUPAC name is [(1R,4Z,6S,7R,17R)-4-ethylidene-7-hydroxy-7-methyl-3,8-dioxo-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-en-6-yl]methyl acetate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1R,4Z,6S,7R,17R)-4-ethylidene-7-hydroxy-7-methyl-3,8-dioxo-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-en-6-yl]methyl acetate
CAS number
85547-34-8
Molecular formula
C20H27NO7
InChIKey
JAWLPMQZKYJXPI-CZALMGRGSA-N
InChI
InChI=1S/C20H27NO7/c1-4-13-9-15(11-26-12(2)22)20(3,25)19(24)27-10-14-5-7-21-8-6-16(17(14)21)28-18(13)23/h4-5,15-17,25H,6-11H2,1-3H3/b13-4-/t15-,16+,17+,20+/m0/s1
Canonical SMILES
CC=C1CC(COC(C)=O)C(C)(O)C(=O)OCC2=CCN3CCC(OC1=O)C23
Isomeric SMILES
C/C=C\1/C[C@H]([C@@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(C)O)COC(=O)C

Synonyms

  • ((1R,4E,6S,7S,17S)-4-Ethylidene-7-hydroxy-7-methyl-3,8-dioxo-2,9-dioxa-14-azatricyclo(9.5.1.0,)heptadec-11-en-6-yl)methyl acetic acid
  • [(1R,4E,6S,7S,17S)-4-Ethylidene-7-hydroxy-7-methyl-3,8-dioxo-2,9-dioxa-14-azatricyclo[9.5.1.0,]heptadec-11-en-6-yl]methyl acetic 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
393.44 g/molcalc.
Exact mass
393.1788 Dacalc.
LogP (octanol/water)
0.74calc.
Topological polar surface area
102.4 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
2calc.
Heavy atoms
28calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.65calc.
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, C=C1CCCC(=O)OCC2=CCN3CCC(OC1=O)C23

C=C1CCCC(=O)OCC2=CCN3CCC(OC1=O)C23

3 rings, 20 atoms.

34 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.

Acetylgynuramine suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

No supplier listings yet

Post one free request and suppliers who make or trade Acetylgynuramine can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Acetylgynuramine price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 Acetylgynuramine is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Acetylgynuramine?

Acetylgynuramine is a chemical substance with the molecular formula C20H27NO7 and a molar mass of 393.44 g/mol. Its CAS registry number is 85547-34-8. The IUPAC name is [(1R,4Z,6S,7R,17R)-4-ethylidene-7-hydroxy-7-methyl-3,8-dioxo-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-en-6-yl]methyl acetate.

What is the CAS number of Acetylgynuramine?

The CAS registry number of Acetylgynuramine is 85547-34-8.

What is the molecular formula and weight of Acetylgynuramine?

The molecular formula of Acetylgynuramine is C20H27NO7 and its molar mass is 393.44 g/mol.

Is Acetylgynuramine hazardous?

No GHS hazard classification for Acetylgynuramine 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 Acetylgynuramine?

Acetylgynuramine is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Acetylgynuramine?

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

What is the price of Acetylgynuramine?

Suppliers quote Acetylgynuramine 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 Acetylgynuramine

Get quotes for Acetylgynuramine

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Acetylgynuramine
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Acetylgynuramine with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/acetylgynuramine-85547-34-8" title="Acetylgynuramine structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Heterocyclic compounds or HS code 293499

Price on request
Free quotes, contact stays private
Get quotes