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Heterocyclic compounds

Acetylanonamine

Also known as 4,8-Secosenecionan-8,11,16-trione, 21-(acetyloxy)-12-hydroxy-4-methyl-, (15E)-, [(2E)-2-[(1R,6R,7R,11Z)-7-hydroxy-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-4-ylidene]ethyl] acetate

CAS 138079-62-6Formula C21H29NO8Molar mass 423.46 g/mol
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Acetylanonamine chemical structure, C21H29NO8, CAS 138079-62-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
138079-62-6
Formula
C21H29NO8
Molar mass
423.46 g/mol
HS code
293499
Category
Heterocyclic compounds

What is Acetylanonamine?

Plain description, key identifiers and synonyms

Acetylanonamine is a chemical substance with the molecular formula C21H29NO8 and a molar mass of 423.46 g/mol. Its CAS registry number is 138079-62-6. The IUPAC name is [(2E)-2-[(1R,6R,7R,11Z)-7-hydroxy-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-4-ylidene]ethyl] acetate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(2E)-2-[(1R,6R,7R,11Z)-7-hydroxy-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-4-ylidene]ethyl] acetate
CAS number
138079-62-6
Molecular formula
C21H29NO8
InChIKey
VSDQPXFTDJVJID-BCPVGGSJSA-N
InChI
InChI=1S/C21H29NO8/c1-13-11-15(7-10-28-14(2)23)19(25)30-17-6-9-22(4)8-5-16(18(17)24)12-29-20(26)21(13,3)27/h5,7,13,17,27H,6,8-12H2,1-4H3/b15-7+,16-5-/t13-,17-,21-/m1/s1
Canonical SMILES
CC(=O)OCC=C1CC(C)C(C)(O)C(=O)OCC2=CCN(C)CCC(OC1=O)C2=O
Isomeric SMILES
C[C@@H]1C/C(=C\COC(=O)C)/C(=O)O[C@@H]2CCN(C/C=C(\C2=O)/COC(=O)[C@]1(C)O)C

Synonyms

  • 4,8-Secosenecionan-8,11,16-trione, 21-(acetyloxy)-12-hydroxy-4-methyl-, (15E)-
  • [(2E)-2-[(1R,6R,7R,11Z)-7-hydroxy-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-4-ylidene]ethyl] acetate

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
423.46 g/molcalc.
Exact mass
423.1893 Dacalc.
LogP (octanol/water)
0.55calc.
Topological polar surface area
119.4 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
2calc.
Heavy atoms
30calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.62calc.
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, C=C1CCCC(=O)OCC2=CCNCCC(OC1=O)C2=O

C=C1CCCC(=O)OCC2=CCNCCC(OC1=O)C2=O

2 rings, 21 atoms.

13 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.

Acetylanonamine suppliers

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Acetylanonamine 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

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

Frequently asked questions

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

What is Acetylanonamine?

Acetylanonamine is a chemical substance with the molecular formula C21H29NO8 and a molar mass of 423.46 g/mol. Its CAS registry number is 138079-62-6. The IUPAC name is [(2E)-2-[(1R,6R,7R,11Z)-7-hydroxy-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-4-ylidene]ethyl] acetate.

What is the CAS number of Acetylanonamine?

The CAS registry number of Acetylanonamine is 138079-62-6.

What is the molecular formula and weight of Acetylanonamine?

The molecular formula of Acetylanonamine is C21H29NO8 and its molar mass is 423.46 g/mol.

Is Acetylanonamine hazardous?

No GHS hazard classification for Acetylanonamine 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 Acetylanonamine?

Acetylanonamine 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 Acetylanonamine?

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What is the price of Acetylanonamine?

Suppliers quote Acetylanonamine 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 Acetylanonamine

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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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