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Screening compounds

Tuberostemonine

Also known as Tubero-stemonine, (1R,3S,9R,10R,11S,14S,15S,16R)-10-ethyl-14-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadecan-13-one, Stenine, 2-(tetrahydro-4-methyl-5-oxo-2-furanyl)-, (2beta(2S,4S))-

CAS 6879-01-2Formula C22H33NO4Molar mass 375.51 g/molEC 110-077-3
GHS signal word: Warning. Pictograms: Harmful or irritant 2 suppliers listed
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Tuberostemonine chemical structure, C22H33NO4, CAS 6879-01-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
6879-01-2
Formula
C22H33NO4
Molar mass
375.51 g/mol
EC number
110-077-3
HS code
293499
Category
Screening compounds

What is Tuberostemonine?

Plain description, key identifiers and synonyms

Tuberostemonine is a natural product found in Stemona phyllantha and Stemona tuberosa. It has a role as a metabolite.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,3S,9R,10R,11S,14S,15S,16R)-10-ethyl-14-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadecan-13-one
CAS number
6879-01-2
EC number
110-077-3
Molecular formula
C22H33NO4
MDL number
MFCD11111456
InChIKey
GYOGHROCTSEKDY-JJDZUBOLSA-N
InChI
InChI=1S/C22H33NO4/c1-4-13-14-7-5-6-8-23-16(17-9-11(2)21(24)26-17)10-15(19(14)23)18-12(3)22(25)27-20(13)18/h11-20H,4-10H2,1-3H3/t11-,12-,13+,14+,15+,16-,17-,18+,19+,20-/m0/s1
Canonical SMILES
CCC1C2CCCCN3C(C4CC(C)C(=O)O4)CC(C4C(C)C(=O)OC14)C23
Isomeric SMILES
CC[C@@H]1[C@H]2CCCCN3[C@H]2[C@H](C[C@H]3[C@@H]4C[C@@H](C(=O)O4)C)[C@@H]5[C@H]1OC(=O)[C@H]5C

Synonyms

  • Tubero-stemonine
  • (1R,3S,9R,10R,11S,14S,15S,16R)-10-ethyl-14-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadecan-13-one
  • Stenine, 2-(tetrahydro-4-methyl-5-oxo-2-furanyl)-, (2beta(2S,4S))-
  • (1R,3S,9R,10R,11S,14S,15S,16R)-10-ethyl-14-methyl-3-((2S,4S)-4-methyl-5-oxooxolan-2-yl)-12-oxa-4-azatetracyclo(7.6.1.04,16.011,15)hexadecan-13-one
  • Tuberstemonine
  • (2S,31R,7AR,8R,8aS,11S,11aS,11bR)-8-Ethyl-11-methyl-2-((2S,4S)-4-methyl-5-oxotetrahydrofuran-2-yl)dodecahydroazepino[3,2,1-hi]furo[3,2-e]indol-10(2H)-one
  • (1R,3S,9R,10R,11S,14S,15S,16R)-10-ethyl-14-methyl-3-[(2S,4S)-4-methyl-5-oxo-tetrahydrofuran-2-yl]-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadecan-13-one
  • (1R,3S,9R,10R,11S,14S,15S,16R)-10-ethyl-14-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-12-oxa-4-azatetracyclo[7.6.1.0^{4,16}.0^{11,15}]hexadecan-13-one
  • (2S,31R,7AR,8R,8aS,11S,11aS,11bR)-8-Ethyl-11-methyl-2-((2S,4S)-4-methyl-5-oxotetrahy

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
375.51 g/molcalc.
Exact mass
375.241 Dacalc.
LogP (octanol/water)
3.01calc.
Topological polar surface area
55.84 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
2calc.
Heavy atoms
27calc.
Rings
5calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.91calc.
Formal charge
0calc.
Stereocentres
10calc.
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=C1CC2C(CC3CCCCN4C(C5CCC(=O)O5)CC2C34)O1

O=C1CC2C(CC3CCCCN4C(C5CCC(=O)O5)CC2C34)O1

5 rings, 23 atoms.

3 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
Precautionary statements (5)
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P301 + P317If swallowed: Get medical help.
  • P330Rinse mouth.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Tuberostemonine suppliers

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All 2 suppliers

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Where suppliers are based

2 suppliers in 1 country

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Tuberostemonine 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

Roles

  • metabolite

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

Frequently asked questions

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

What is Tuberostemonine?

Tuberostemonine is a natural product found in Stemona phyllantha and Stemona tuberosa. It has a role as a metabolite.

What is the CAS number of Tuberostemonine?

The CAS registry number of Tuberostemonine is 6879-01-2.

What is the molecular formula and weight of Tuberostemonine?

The molecular formula of Tuberostemonine is C22H33NO4 and its molar mass is 375.51 g/mol.

What is Tuberostemonine used for?

Known uses and roles of Tuberostemonine include building blocks in research and laboratory, screening compounds in research and laboratory and metabolite.

Is Tuberostemonine hazardous?

Tuberostemonine carries the GHS signal word "Warning". Main hazards: harmful if swallowed. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Tuberostemonine?

Tuberostemonine 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 Tuberostemonine?

CompoundList lists 2 suppliers of Tuberostemonine in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Tuberostemonine?

Suppliers quote Tuberostemonine 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 Tuberostemonine

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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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