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Screening compounds

Nemorensine

Also known as C(16a)-Homo-21-norsenecionan-11,16a-dione, 12,15-epoxy-1,2,15,20-tetrahydro-, (1alpha,12R,15R)-, (1R,5S,7R,8R,12S,18R)-5,7,8-trimethyl-2,10,19-trioxa-15-azatetracyclo[10.5.1.15,8.015,18]nonadecane-3,9-dione, (1alpha,12R,15R)-12,15-Epoxy-1,2,15,20-tetrahydro-C(16a)-homo-21-norsenecionan-11,16a-dione

CAS 50906-96-2Formula C18H27NO5Molar mass 337.42 g/mol
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Nemorensine chemical structure, C18H27NO5, CAS 50906-96-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
50906-96-2
Formula
C18H27NO5
Molar mass
337.42 g/mol
HS code
293499
Category
Screening compounds

What is Nemorensine?

Plain description, key identifiers and synonyms

C(16a)-Homo-21-norsenecionan-11,16a-dione, 12,15-epoxy-1,2,15,20-tetrahydro-, (1alpha,12R,15R)- has been reported in Senecio macedonicus and Senecio nemorensis.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,5S,7R,8R,12S,18R)-5,7,8-trimethyl-2,10,19-trioxa-15-azatetracyclo[10.5.1.15,8.015,18]nonadecane-3,9-dione
CAS number
50906-96-2
Molecular formula
C18H27NO5
UNII
UY437QK74R
InChIKey
DNEINKNDPRUHLP-WLFFGFHMSA-N
InChI
InChI=1S/C18H27NO5/c1-11-8-17(2)9-14(20)23-13-5-7-19-6-4-12(15(13)19)10-22-16(21)18(11,3)24-17/h11-13,15H,4-10H2,1-3H3/t11-,12-,13-,15-,17+,18-/m1/s1
Canonical SMILES
CC1CC2(C)CC(=O)OC3CCN4CCC(COC(=O)C1(C)O2)C34
Isomeric SMILES
C[C@@H]1C[C@]2(CC(=O)O[C@@H]3CCN4[C@@H]3[C@H](CC4)COC(=O)[C@@]1(O2)C)C

Synonyms

  • C(16a)-Homo-21-norsenecionan-11,16a-dione, 12,15-epoxy-1,2,15,20-tetrahydro-, (1alpha,12R,15R)-
  • (1R,5S,7R,8R,12S,18R)-5,7,8-trimethyl-2,10,19-trioxa-15-azatetracyclo[10.5.1.15,8.015,18]nonadecane-3,9-dione
  • (1alpha,12R,15R)-12,15-Epoxy-1,2,15,20-tetrahydro-C(16a)-homo-21-norsenecionan-11,16a-dione
  • Nemorensin
  • (12R,15R)-12,15-Epoxy-1alpha,2,15,20-tetrahydro-16a-homo-21-norsenecionan-11,16a-dione
  • (4S,6R,7R,10aS,15aR,15bR)-Dodecahydro-4,6,7-trimethyl-4,7-epoxy-2H-[1,6]dioxacyclotridecino[2,3,4-gh]pyrrolizine-2,8(3H)-dione
  • 4,7-Epoxy-2H-[1,6]dioxacyclotridecino[2,3,4-gh]pyrrolizine-2,8(3H)-dione, dodecahydro-4,6,7-trimethyl-, (4S,6R,7R,10aS,15aR,15bR)-

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
337.42 g/molcalc.
Exact mass
337.1889 Dacalc.
LogP (octanol/water)
1.51calc.
Topological polar surface area
65.07 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
0calc.
Heavy atoms
24calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.89calc.
Formal charge
0calc.
Stereocentres
6calc.
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=C1CC2CCC(O2)C(=O)OCC2CCN3CCC(O1)C23

O=C1CC2CCC(O2)C(=O)OCC2CCN3CCC(O1)C23

4 rings, 21 atoms.

1 other chemical 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.

Nemorensine suppliers

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

Frequently asked questions

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

What is Nemorensine?

C(16a)-Homo-21-norsenecionan-11,16a-dione, 12,15-epoxy-1,2,15,20-tetrahydro-, (1alpha,12R,15R)- has been reported in Senecio macedonicus and Senecio nemorensis.

What is the CAS number of Nemorensine?

The CAS registry number of Nemorensine is 50906-96-2.

What is the molecular formula and weight of Nemorensine?

The molecular formula of Nemorensine is C18H27NO5 and its molar mass is 337.42 g/mol.

What is Nemorensine used for?

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

Is Nemorensine hazardous?

No GHS hazard classification for Nemorensine 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 Nemorensine?

Nemorensine 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 Nemorensine?

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

What is the price of Nemorensine?

Suppliers quote Nemorensine 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 Nemorensine

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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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