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Screening compounds

Protostemotinine

Also known as (1S,4S,13S)-4'-methoxy-3',11-dimethyl-4-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]spiro[5-azatricyclo[8.3.0.01,5]tridec-10-ene-13,5'-furan]-2',12-dione, (1S,4S,13S)-4'-methoxy-3',11-dimethyl-4-((2S,4S)-4-methyl-5-oxooxolan-2-yl)spiro(5-azatricyclo(8.3.0.01,5)tridec-10-ene-13,5'-furan)-2',12-dione, (1'S,2S,11'S)-3-methoxy-4,4'-dimethyl-11'-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-5H-10'-azaspiro[furan-2,2'-tricyclo[8.3.0.0,1,5]tridecan]-4'-ene-3',5-dione

CAS 169534-85-4Formula C23H29NO6Molar mass 415.49 g/mol
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Protostemotinine chemical structure, C23H29NO6, CAS 169534-85-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
169534-85-4
Formula
C23H29NO6
Molar mass
415.49 g/mol
HS code
293499
Category
Screening compounds

What is Protostemotinine?

Plain description, key identifiers and synonyms

(1'S,2S,11'S)-3-methoxy-4,4'-dimethyl-11'-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-10'-azaspiro[furan-2,2'-tricyclo[8.3.0.0¹,⁵]tridecan]-4'-ene-3',5-dione has been reported in Stemona japonica, Stemona kerrii, and Stemona sessilifolia.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S,4S,13S)-4'-methoxy-3',11-dimethyl-4-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]spiro[5-azatricyclo[8.3.0.01,5]tridec-10-ene-13,5'-furan]-2',12-dione
CAS number
169534-85-4
Molecular formula
C23H29NO6
MDL number
MFCD14155631
InChIKey
SKYPPFSYUDCEQR-NMXNWEJOSA-N
InChI
InChI=1S/C23H29NO6/c1-12-11-17(29-20(12)26)16-8-9-22-15(7-5-6-10-24(16)22)13(2)18(25)23(22)19(28-4)14(3)21(27)30-23/h12,16-17H,5-11H2,1-4H3/t12-,16-,17-,22-,23+/m0/s1
Canonical SMILES
COC1=C(C)C(=O)OC12C(=O)C(C)=C1CCCCN3C(C4CC(C)C(=O)O4)CCC132
Isomeric SMILES
C[C@H]1C[C@H](OC1=O)[C@@H]2CC[C@]34N2CCCCC3=C(C(=O)[C@@]45C(=C(C(=O)O5)C)OC)C

Synonyms

  • (1S,4S,13S)-4'-methoxy-3',11-dimethyl-4-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]spiro[5-azatricyclo[8.3.0.01,5]tridec-10-ene-13,5'-furan]-2',12-dione
  • (1S,4S,13S)-4'-methoxy-3',11-dimethyl-4-((2S,4S)-4-methyl-5-oxooxolan-2-yl)spiro(5-azatricyclo(8.3.0.01,5)tridec-10-ene-13,5'-furan)-2',12-dione
  • (1'S,2S,11'S)-3-methoxy-4,4'-dimethyl-11'-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-5H-10'-azaspiro[furan-2,2'-tricyclo[8.3.0.0,1,5]tridecan]-4'-ene-3',5-dione

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
415.49 g/molcalc.
Exact mass
415.1995 Dacalc.
LogP (octanol/water)
2.44calc.
Topological polar surface area
82.14 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
2calc.
Heavy atoms
30calc.
Rings
5calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.7calc.
Formal charge
0calc.
Stereocentres
5calc.
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=CC2(O1)C(=O)C=C1CCCCN3C(C4CCC(=O)O4)CCC132

O=C1C=CC2(O1)C(=O)C=C1CCCCN3C(C4CCC(=O)O4)CCC132

5 rings, 25 atoms.

2 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.

Protostemotinine suppliers

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

Frequently asked questions

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

What is Protostemotinine?

(1'S,2S,11'S)-3-methoxy-4,4'-dimethyl-11'-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-10'-azaspiro[furan-2,2'-tricyclo[8.3.0.0¹,⁵]tridecan]-4'-ene-3',5-dione has been reported in Stemona japonica, Stemona kerrii, and Stemona sessilifolia.

What is the CAS number of Protostemotinine?

The CAS registry number of Protostemotinine is 169534-85-4.

What is the molecular formula and weight of Protostemotinine?

The molecular formula of Protostemotinine is C23H29NO6 and its molar mass is 415.49 g/mol.

What is Protostemotinine used for?

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

Is Protostemotinine hazardous?

No GHS hazard classification for Protostemotinine 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 Protostemotinine?

Protostemotinine 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 Protostemotinine?

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

What is the price of Protostemotinine?

Suppliers quote Protostemotinine 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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