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Heterocyclic building blocks

Annotinine

Also known as Annotinin, 4-27-00-06563 (Beilstein Handbook Reference), (1R,2S,4R,10S,11R,14S,15R,17S)-15-methyl-3,12-dioxa-6-azahexacyclo[8.4.3.111,14.01,17.02,4.06,17]octadecan-13-one

CAS 559-49-9Formula C16H21NO3Molar mass 275.35 g/mol
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Annotinine chemical structure, C16H21NO3, CAS 559-49-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
559-49-9
Formula
C16H21NO3
Molar mass
275.35 g/mol
HS code
293499
Category
Heterocyclic building blocks

What is Annotinine?

Plain description, key identifiers and synonyms

Annotinin has been reported in Lycopodium annotinum.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,2S,4R,10S,11R,14S,15R,17S)-15-methyl-3,12-dioxa-6-azahexacyclo[8.4.3.111,14.01,17.02,4.06,17]octadecan-13-one
CAS number
559-49-9
Molecular formula
C16H21NO3
UNII
TW2IG33869
InChIKey
MVITYUVPZPGMRM-LZPZFNHJSA-N
InChI
InChI=1S/C16H21NO3/c1-8-6-15-9-3-2-4-17(15)7-12-13(19-12)16(8,15)10-5-11(9)20-14(10)18/h8-13H,2-7H2,1H3/t8-,9-,10-,11-,12-,13-,15+,16+/m1/s1
Canonical SMILES
CC1CC23C4CCCN2CC2OC2C13C1CC4OC1=O
Isomeric SMILES
C[C@@H]1C[C@@]23[C@]14[C@@H]5C[C@H]([C@H]2CCCN3C[C@@H]6[C@H]4O6)OC5=O

Synonyms

  • Annotinin
  • 4-27-00-06563 (Beilstein Handbook Reference)
  • (1R,2S,4R,10S,11R,14S,15R,17S)-15-methyl-3,12-dioxa-6-azahexacyclo[8.4.3.111,14.01,17.02,4.06,17]octadecan-13-one
  • 10b,10c-Ethano-1,4-methano-4H,9H-oxepino(3,4,5-ij)oxireno(b)quinolizin-2(1H)-one, hexahydro-12-methyl-, (1S,4R,4as,9ar,10as,10bs,10cs,12R)-
  • (1R,2S,4R,10S,11R,14S,15R,17S)-15-methyl-3,12-dioxa-6-azahexacyclo(8.4.3.111,14.01,17.02,4.06,17)octadecan-13-one
  • (3S,4R,6S,9R,10S,16R,17S)-12-methyl3,12-dioxa-6-azahexacyclo(8.4.3.1^(11,14).0^(1,17).0^(2,4).0^(6,17))octadecane-7-one
  • (3S,4R,6S,9R,10S,16R,17S)-12-methyl3,12-dioxa-6-azahexacyclo[8.4.3.1^{11,14}.0^{1,17}.0^{2,4}.0^{6,17}]octadecane-7-one
  • 15-methyl-3,12-dioxa-6-azahexacyclo(8.4.3.111,14.01,17.02,4.06,17)octadecan-13-one
  • 15-methyl-3,12-dioxa-6-azahexacyclo[8.4.3.111,14.01,17.02,4.06,17]octadecan-13-one

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
275.35 g/molcalc.
Exact mass
275.1521 Dacalc.
LogP (octanol/water)
1.19calc.
Topological polar surface area
42.07 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
0calc.
Heavy atoms
20calc.
Rings
6calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.94calc.
Formal charge
0calc.
Stereocentres
8calc.
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=C1OC2CC1C13CCC14C2CCCN4CC1OC13

O=C1OC2CC1C13CCC14C2CCCN4CC1OC13

6 rings, 19 atoms.

No other chemical in our database has 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.

Annotinine suppliers

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

Frequently asked questions

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

What is Annotinine?

Annotinin has been reported in Lycopodium annotinum.

What is the CAS number of Annotinine?

The CAS registry number of Annotinine is 559-49-9.

What is the molecular formula and weight of Annotinine?

The molecular formula of Annotinine is C16H21NO3 and its molar mass is 275.35 g/mol.

What is Annotinine used for?

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

Is Annotinine hazardous?

No GHS hazard classification for Annotinine 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 Annotinine?

Annotinine 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 Annotinine?

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What is the price of Annotinine?

Suppliers quote Annotinine 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 Annotinine

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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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