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Screening compounds

Echiumine

Also known as [(7R,8R)-7-[(Z)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-[(1R)-1-hydroxyethyl]-3-methylbutanoate

CAS 633-16-9Formula C20H31NO6Molar mass 381.47 g/mol
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Echiumine chemical structure, C20H31NO6, CAS 633-16-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
633-16-9
Formula
C20H31NO6
Molar mass
381.47 g/mol
HS code
293399
Category
Screening compounds

What is Echiumine?

Plain description, key identifiers and synonyms

echiumine has been reported in Cryptantha fendleri, Cryptantha clevelandii, and Cryptantha leiocarpa.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(7R,8R)-7-[(Z)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-[(1R)-1-hydroxyethyl]-3-methylbutanoate
CAS number
633-16-9
Molecular formula
C20H31NO6
UNII
TTL6B216YV
InChIKey
MVWPTZQHBOWRTF-KJSUXLSRSA-N
InChI
InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6-/t14-,16-,17-,20+/m1/s1
Canonical SMILES
CC=C(C)C(=O)OC1CCN2CC=C(COC(=O)C(O)(C(C)C)C(C)O)C12
Isomeric SMILES
C/C=C(/C)\C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@@H](C)O)(C(C)C)O

Synonyms

  • [(7R,8R)-7-[(Z)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-[(1R)-1-hydroxyethyl]-3-methylbutanoate

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
381.47 g/molcalc.
Exact mass
381.2151 Dacalc.
LogP (octanol/water)
1.19calc.
Topological polar surface area
96.3 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
7calc.
Heavy atoms
27calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.7calc.
Formal charge
0calc.
Stereocentres
4calc.
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, C1=CC2CCCN2C1

C1=CC2CCCN2C1

2 rings, 8 atoms, the 2,3,5,7A-Tetrahydro-1H-pyrrolizine ring system.

130 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.

Echiumine suppliers

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Where suppliers are based

1 supplier in 1 country

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Echiumine 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 Echiumine is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Echiumine is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Echiumine?

echiumine has been reported in Cryptantha fendleri, Cryptantha clevelandii, and Cryptantha leiocarpa.

What is the CAS number of Echiumine?

The CAS registry number of Echiumine is 633-16-9.

What is the molecular formula and weight of Echiumine?

The molecular formula of Echiumine is C20H31NO6 and its molar mass is 381.47 g/mol.

What is Echiumine used for?

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

Is Echiumine hazardous?

No GHS hazard classification for Echiumine 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 Echiumine?

Echiumine is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Echiumine?

CompoundList lists 1 supplier of Echiumine in 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 Echiumine?

Suppliers quote Echiumine 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 Echiumine

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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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