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Screening compounds

Scorpioidine

Also known as [(7R,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-3-methyl-2-[(1S)-1-[(E)-2-methylbut-2-enoyl]oxyethyl]butanoate, 2-Butenoic acid, 2-methyl-, (1S,2S)-2-hydroxy-1,3-dimethyl-2-((((1R,7aR)-2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methoxy)carbonyl)butyl ester, (2E)-, ((7R,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl)methyl (2S)-2-hydroxy-3-methyl-2-((1S)-1-((E)-2-methylbut-2-enoyl)oxyethyl)butanoate

CAS 80405-18-1Formula C20H31NO6Molar mass 381.47 g/mol
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Scorpioidine chemical structure, C20H31NO6, CAS 80405-18-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
80405-18-1
Formula
C20H31NO6
Molar mass
381.47 g/mol
HS code
293399
Category
Screening compounds

What is Scorpioidine?

Plain description, key identifiers and synonyms

Scorpioidine has been reported in Myosotis scorpioides.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(7R,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-3-methyl-2-[(1S)-1-[(E)-2-methylbut-2-enoyl]oxyethyl]butanoate
CAS number
80405-18-1 CAS number cross-checked
Molecular formula
C20H31NO6
InChIKey
XDYWDZKXDBKDDT-SMLWLWDZSA-N
InChI
InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-14(5)20(25,12(2)3)19(24)26-11-15-7-9-21-10-8-16(22)17(15)21/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6+/t14-,16+,17+,20-/m0/s1
Canonical SMILES
CC=C(C)C(=O)OC(C)C(O)(C(=O)OCC1=CCN2CCC(O)C12)C(C)C
Isomeric SMILES
C/C=C(\C)/C(=O)O[C@@H](C)[C@@](C(C)C)(C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)O)O

Synonyms

  • [(7R,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-3-methyl-2-[(1S)-1-[(E)-2-methylbut-2-enoyl]oxyethyl]butanoate
  • 2-Butenoic acid, 2-methyl-, (1S,2S)-2-hydroxy-1,3-dimethyl-2-((((1R,7aR)-2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methoxy)carbonyl)butyl ester, (2E)-
  • ((7R,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl)methyl (2S)-2-hydroxy-3-methyl-2-((1S)-1-((E)-2-methylbut-2-enoyl)oxyethyl)butanoate
  • (2S,3S)-4-(((1R,7ar)-1-hydroxy-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl)methoxy)-3-hydroxy-4-oxo-3-(propan-2-yl)butan-2-yl (2E)-2-methylbut-2-enoic acid
  • (2S,3S)-4-{[(1R,7ar)-1-hydroxy-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methoxy}-3-hydroxy-4-oxo-3-(propan-2-yl)butan-2-yl (2E)-2-methylbut-2-enoic acid
  • (2S,3S)-3-Hydroxy-3-({[(1R,7aR)-1-hydroxy-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methoxy}carbonyl)-4-methylpentan-2-yl (2E)-2-methylbut-2-enoate

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.

Scorpioidine suppliers

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

Frequently asked questions

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

What is Scorpioidine?

Scorpioidine has been reported in Myosotis scorpioides.

What is the CAS number of Scorpioidine?

The CAS registry number of Scorpioidine is 80405-18-1.

What is the molecular formula and weight of Scorpioidine?

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

What is Scorpioidine used for?

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

Is Scorpioidine hazardous?

No GHS hazard classification for Scorpioidine 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 Scorpioidine?

Scorpioidine 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 Scorpioidine?

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What is the price of Scorpioidine?

Suppliers quote Scorpioidine 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 Scorpioidine

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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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