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Screening compounds

Retusine

Also known as (1R,4R,5S,6R,10R,16R)-6-hydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadecane-3,7-dione, Retusin (alkaloid), (4R,5S,6R,8aR,8a1R,13aR)-4-hydroxy-4,5,6-trimethyldecahydro-3H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-3,7(4H)-dione

CAS 480-86-4Formula C16H25NO5Molar mass 311.38 g/mol
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Retusine chemical structure, C16H25NO5, CAS 480-86-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
480-86-4
Formula
C16H25NO5
Molar mass
311.38 g/mol
HS code
293499
Category
Screening compounds

What is Retusine?

Plain description, key identifiers and synonyms

retusine has been reported in Crotalaria retusa and Physalis coztomatl.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,4R,5S,6R,10R,16R)-6-hydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadecane-3,7-dione
CAS number
480-86-4 CAS number cross-checked
Molecular formula
C16H25NO5
UNII
QVG5S7BCE6
InChIKey
GXAPLLMJHZBIPX-VZYPABODSA-N
InChI
InChI=1S/C16H25NO5/c1-9-10(2)16(3,20)15(19)21-8-11-4-6-17-7-5-12(13(11)17)22-14(9)18/h9-13,20H,4-8H2,1-3H3/t9-,10+,11+,12-,13-,16-/m1/s1
Canonical SMILES
CC1C(=O)OC2CCN3CCC(COC(=O)C(C)(O)C1C)C23
Isomeric SMILES
C[C@@H]1[C@@H]([C@@](C(=O)OC[C@@H]2CCN3[C@H]2[C@@H](CC3)OC1=O)(C)O)C

Synonyms

  • (1R,4R,5S,6R,10R,16R)-6-hydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadecane-3,7-dione
  • Retusin (alkaloid)
  • (4R,5S,6R,8aR,8a1R,13aR)-4-hydroxy-4,5,6-trimethyldecahydro-3H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-3,7(4H)-dione
  • (3R,4S,5R,8aR,13aR,13bR)-5-Hydroxy-3,4,5-trimethyldecahydro-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione
  • (3R,4S,5R,8ar,13ar,13br)-decahydro-5-hydroxy-3,4,5-trimethyl-2H-(1,6)dioxacycloundecino(2,3,4-gh)pyrrolizine-2,6(3H)-dione
  • 20-Norcrotalanan-11,15-dione, 1,2,14,19-tetrahydro-12-hydroxy-, (1beta,13alpha,14.alpha.)-
  • 20-Norcrotalanan-11,15-dione, 1,2,14,19-tetrahydro-12-hydroxy-, (1beta,13alpha,14alpha)-
  • 2H-(1,6)Dioxacycloundecino(2,3,4-gh)pyrrolizine-2,6(3H)-dione, decahydro-5-hydroxy-3,4,5-trimethyl-, (3R,4S,5R,8ar,13ar,13br)-
  • 5-Hydroxy-3,4,5-trimethyldecahydro-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-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
311.38 g/molcalc.
Exact mass
311.1733 Dacalc.
LogP (octanol/water)
0.57calc.
Topological polar surface area
76.07 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
0calc.
Heavy atoms
22calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.88calc.
Formal charge
0calc.
Stereocentres
6calc.
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)OC2CCN3CCC(CO1)C23

O=C1CCCC(=O)OC2CCN3CCC(CO1)C23

3 rings, 18 atoms.

6 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.

Retusine suppliers

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Retusine price

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

Frequently asked questions

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

What is Retusine?

retusine has been reported in Crotalaria retusa and Physalis coztomatl.

What is the CAS number of Retusine?

The CAS registry number of Retusine is 480-86-4.

What is the molecular formula and weight of Retusine?

The molecular formula of Retusine is C16H25NO5 and its molar mass is 311.38 g/mol.

What is Retusine used for?

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

Is Retusine hazardous?

No GHS hazard classification for Retusine 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 Retusine?

Retusine 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 Retusine?

Post a free request on CompoundList and suppliers of Retusine will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Retusine?

Suppliers quote Retusine 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

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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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