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Screening compounds

Gelsemine

Also known as Gelsemin, Spiro(3,5,8-ethanylylidene-1H-pyrano(3,4-c)pyridine-10,3'-(3H)indol)-2'(1'H)-one, 5-ethenyl-3,4,4a,5,6,7,8,8a-octahydro-7-methyl-, (3R,3'S,4aR,5S,8S,8aS,9S)-, (1'R,2'S,3S,5'S,6'S,8'R,11'S)-2'-ethenyl-4'-methylspiro(1H-indole-3,7'-9-oxa-4-azatetracyclo(6.3.1.02,6.05,11)dodecane)-2-one

CAS 509-15-9Formula C20H22N2O2Molar mass 322.41 g/molEC 208-095-2
GHS signal word: Danger. Pictograms: Acute toxicity (severe) 2 suppliers listed
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Gelsemine chemical structure, C20H22N2O2, CAS 509-15-9
2D chemical structure

Key facts

What buyers check first

All properties
Appearance
Crystals from acetone
Melting point
178 °C
Solubility
SLIGHTLY SOL IN WATER, SOL IN ALCOHOL, BENZENE, CHLOROFORM, ETHER, ACETONE, DILUTE ACIDS
HS code
293499
Category
Screening compounds
Illustrative photo, closed jumbo bulk bags in a warehouse in a warehouse
Typical packagingIllustrative packaging image, not the actual product

What is Gelsemine?

Plain description, key identifiers and synonyms

gelsemine has been reported in Gelsemium elegans and Gelsemium sempervirens.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1'R,2'S,3S,5'S,6'S,8'R,11'S)-2'-ethenyl-4'-methylspiro[1H-indole-3,7'-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2-one
CAS number
509-15-9 CAS number cross-checked
EC number
208-095-2
Molecular formula
C20H22N2O2
UNII
5Y13A78Z72
MDL number
MFCD00082347
InChIKey
NFYYATWFXNPTRM-QJICHLCESA-N
InChI
InChI=1S/C20H22N2O2/c1-3-19-10-22(2)16-11-9-24-15(8-13(11)19)20(17(16)19)12-6-4-5-7-14(12)21-18(20)23/h3-7,11,13,15-17H,1,8-10H2,2H3,(H,21,23)/t11-,13+,15+,16+,17-,19-,20-/m0/s1
Canonical SMILES
C=CC12CN(C)C3C4COC(CC41)C1(C(=O)Nc4ccccc41)C32
Isomeric SMILES
CN1C[C@]2([C@@H]3C[C@@H]4[C@]5([C@H]2[C@H]1[C@H]3CO4)C6=CC=CC=C6NC5=O)C=C

Synonyms

  • Gelsemin
  • Spiro(3,5,8-ethanylylidene-1H-pyrano(3,4-c)pyridine-10,3'-(3H)indol)-2'(1'H)-one, 5-ethenyl-3,4,4a,5,6,7,8,8a-octahydro-7-methyl-, (3R,3'S,4aR,5S,8S,8aS,9S)-
  • (1'R,2'S,3S,5'S,6'S,8'R,11'S)-2'-ethenyl-4'-methylspiro(1H-indole-3,7'-9-oxa-4-azatetracyclo(6.3.1.02,6.05,11)dodecane)-2-one
  • (1'R,2'S,3S,5'S,6'S,8'R,11'S)-2'-ethenyl-4'-methylspiro[1H-indole-3,7'-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2-one
  • 2'-ethenyl-4'-methylspiro(1H-indole-3,7'-9-oxa-4-azatetracyclo(6.3.1.02,6.05,11)dodecane)-2-one
  • (2'S,3S,5'S,6'S,8'R,11'S)-2'-ethenyl-4'-methyl-9'-oxa-4'-azaspiro(indole-3,7'-tetracyclo(6.3.1.02,6.05,11)dodecane)-2-ol
  • (3S,3aS,3'S,5R,8aS,9R)-1-Methyl-3-vinyl-1,2,3,3a,5,7,8,8a-octahydrospiro[3,8,5-(epiethane[1,1,2]triyl)oxepino[4,5-b]pyrrole-4,3'-indolin]-2'-one
  • (3S,3aS,3'S,8S,8aS)-1-methyl-3-vinyl-1,2,3,3a,5,7,8,8a-octahydrospiro[3,8,5-(epiethane[1,1,2]triyl)oxepino[4,5-b]pyrrole-4,3'-indolin]-2'-one
  • (+)-Gelsemine
  • Gelsemine (Standard)
  • Gelsemine, (+)-
  • 4-27-00-07526 (Beilstein Handbook Reference)
  • (3S)-methyl(vinyl)spiro[[?]-3,3'-indoline]-2'-one
  • (1R,2S,5S,6S,7S,8R,11S)-4-methyl-2-vinyl-spiro[9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane-7,3'-indoline]-2'-one
  • (3S,3'S,3aS,5R,8S,8aS,9R)-3-Ethenyl-1-methyl-2,3,3a,7,8,8a-hexahydro-1H,5H-spiro[3,8,5-(ethane[1,1,2]triyl)oxepino[4,5-b]pyrrole-4,3'-indol]-2'(1'H)-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

Appearance
Crystals from acetoneexp.
Melting point
178 °Cexp.
Solubility
SLIGHTLY SOL IN WATER, SOL IN ALCOHOL, BENZENE, CHLOROFORM, ETHER, ACETONE, DILUTE ACIDSexp.

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
322.41 g/molcalc.
Exact mass
322.1681 Dacalc.
LogP (octanol/water)
2.03calc.
Topological polar surface area
41.57 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
1calc.
Heavy atoms
24calc.
Rings
6calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.55calc.
Formal charge
0calc.
Stereocentres
7calc.
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=C1Nc2ccccc2C12C1CC3C(CO1)C1NCC3C12

O=C1Nc2ccccc2C12C1CC3C(CO1)C1NCC3C12

6 rings, 21 atoms.

8 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)

Hazard statements

  • H300Fatal if swallowed.
  • H310Fatal in contact with skin.
  • H330Fatal if inhaled.
Precautionary statements (18)
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P262Do not get in eyes, on skin, or on clothing.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P284In case of inadequate ventilation wear respiratory protection.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P316Get emergency medical help immediately.
  • P320Specific treatment is urgent (see supplemental first aid instructions on the label).
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P361 + P364Take off immediately all contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • 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

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

Frequently asked questions

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

What is Gelsemine?

gelsemine has been reported in Gelsemium elegans and Gelsemium sempervirens.

What is the CAS number of Gelsemine?

The CAS registry number of Gelsemine is 509-15-9.

What is the molecular formula and weight of Gelsemine?

The molecular formula of Gelsemine is C20H22N2O2 and its molar mass is 322.41 g/mol.

What is Gelsemine used for?

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

Is Gelsemine hazardous?

Gelsemine carries the GHS signal word "Danger". Main hazards: fatal if swallowed, fatal in contact with skin, fatal if inhaled. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Gelsemine?

Gelsemine 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 Gelsemine?

CompoundList lists 2 suppliers of Gelsemine 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 Gelsemine?

Suppliers quote Gelsemine 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 Gelsemine

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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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