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Screening compounds

Trichodesmine

Also known as (1R,4R,5R,6R,16R)-5,6-dihydroxy-5,6-dimethyl-4-propan-2-yl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione, (1R,4R,5R,6R,16R)-5,6-dihydroxy-5,6-dimethyl-4-propan-2-yl-2,8-dioxa-13-azatricyclo(8.5.1.013,16)hexadec-10-ene-3,7-dione, (13 alpha,14 alpha)-14,19-dihydro-12,13-dihydroxy-19-methylcrotalanan-11,15-dione

CAS 548-90-3Formula C18H27NO6Molar mass 353.42 g/molEC 111-078-1
GHS signal word: Danger. Pictograms: Acute toxicity (severe), Serious health hazard 2 suppliers listed
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Trichodesmine chemical structure, C18H27NO6, CAS 548-90-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
548-90-3
Formula
C18H27NO6
Molar mass
353.42 g/mol
EC number
111-078-1
HS code
293499
Category
Screening compounds

What is Trichodesmine?

Plain description, key identifiers and synonyms

Trichodesmine has been reported in Crotalaria sessiliflora, Crotalaria aegyptiaca, and other organisms.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,4R,5R,6R,16R)-5,6-dihydroxy-5,6-dimethyl-4-propan-2-yl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione
CAS number
548-90-3 CAS number cross-checked
EC number
111-078-1
Molecular formula
C18H27NO6
InChIKey
SOODLZHDDSGRKL-FOOXYVKASA-N
InChI
InChI=1S/C18H27NO6/c1-10(2)13-15(20)25-12-6-8-19-7-5-11(14(12)19)9-24-16(21)18(4,23)17(13,3)22/h5,10,12-14,22-23H,6-9H2,1-4H3/t12-,13+,14-,17-,18+/m1/s1
Canonical SMILES
CC(C)C1C(=O)OC2CCN3CC=C(COC(=O)C(C)(O)C1(C)O)C23
Isomeric SMILES
CC(C)[C@H]1C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@]1(C)O)(C)O

Synonyms

  • (1R,4R,5R,6R,16R)-5,6-dihydroxy-5,6-dimethyl-4-propan-2-yl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione
  • (1R,4R,5R,6R,16R)-5,6-dihydroxy-5,6-dimethyl-4-propan-2-yl-2,8-dioxa-13-azatricyclo(8.5.1.013,16)hexadec-10-ene-3,7-dione
  • (13 alpha,14 alpha)-14,19-dihydro-12,13-dihydroxy-19-methylcrotalanan-11,15-dione
  • (3R,4R,5R,8a1R,13aR)-4,5-dihydroxy-3-isopropyl-4,5-dimethyl-4,5,8,8a1,10,12,13,13a-octahydro-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione
  • (3R,4R,5R,13aR,13bR)-4,5-dihydroxy-4,5-dimethyl-3-(propan-2-yl)-4,5,8,10,12,13,13a,13b-octahydro-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione
  • (13alpha,14alpha)-14,19-Dihydro-12,13-dihydroxy-19-methylcrotalanan-11,15-dione
  • (1R,4R,5R,6R,16R)-5,6-dihydroxy-4-isopropyl-5,6-dimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione
  • (1R,4R,5R,6R,16R)-5,6-Dihydroxy-5,6-dimethyl-4-(propan-2-yl)-2,8-dioxa-13-azatricyclo[8.5.1.0(1)(3),(1)?]hexadec-10-ene-3,7-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
353.42 g/molcalc.
Exact mass
353.1838 Dacalc.
LogP (octanol/water)
0.24calc.
Topological polar surface area
96.3 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
1calc.
Heavy atoms
25calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.78calc.
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=C1CCCC(=O)OC2CCN3CC=C(CO1)C23

O=C1CCCC(=O)OC2CCN3CC=C(CO1)C23

3 rings, 18 atoms.

32 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)
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H300Fatal if swallowed.
  • H370Causes damage to organs.
Precautionary statements (9)
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P308 + P316If exposed or concerned: Get emergency medical help immediately.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • 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

Trichodesmine suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 2 suppliers

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

2 suppliers in 2 countries

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

Frequently asked questions

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

What is Trichodesmine?

Trichodesmine has been reported in Crotalaria sessiliflora, Crotalaria aegyptiaca, and other organisms.

What is the CAS number of Trichodesmine?

The CAS registry number of Trichodesmine is 548-90-3.

What is the molecular formula and weight of Trichodesmine?

The molecular formula of Trichodesmine is C18H27NO6 and its molar mass is 353.42 g/mol.

What is Trichodesmine used for?

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

Is Trichodesmine hazardous?

Trichodesmine carries the GHS signal word "Danger". Main hazards: fatal if swallowed, causes damage to organs. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Trichodesmine?

Trichodesmine 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 Trichodesmine?

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

What is the price of Trichodesmine?

Suppliers quote Trichodesmine 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 Trichodesmine

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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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