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Heterocyclic compounds

Jacozine

Also known as 13,19-didehydrojacobine, (1R,3'S,4S,7R,17R)-7-hydroxy-3',7-dimethyl-6-methylidenespiro[2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-4,2'-oxirane]-3,8-dione, Senecionan-11,16-dione, 13,19-didehydro-15,20-epoxy-15,20-dihydro-12-hydroxy-, (15alpha,20S)-

CAS 5532-23-0Formula C18H23NO6Molar mass 349.38 g/mol
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Jacozine chemical structure, C18H23NO6, CAS 5532-23-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
5532-23-0
Formula
C18H23NO6
Molar mass
349.38 g/mol
HS code
293499
Category
Heterocyclic compounds

What is Jacozine?

Plain description, key identifiers and synonyms

Jacozine is a pyrrolizine alkaloid that is seneciphylline in which the exocyclic double bond has been converted to the corresponding epoxide. It has a role as a Jacobaea metabolite. It is a spiro-epoxide, a tertiary alcohol, an organic heterotricyclic compound, a pyrrolizine alkaloid, a tertiary amino compound and a macrocyclic lactone. It is functionally related to a seneciphylline.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,3'S,4S,7R,17R)-7-hydroxy-3',7-dimethyl-6-methylidenespiro[2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-4,2'-oxirane]-3,8-dione
CAS number
5532-23-0 CAS number cross-checked
Molecular formula
C18H23NO6
UNII
73KAJ7W3HA
InChIKey
XCEPKQNOWNOSFH-CGPXFRKCSA-N
InChI
InChI=1S/C18H23NO6/c1-10-8-18(11(2)25-18)16(21)24-13-5-7-19-6-4-12(14(13)19)9-23-15(20)17(10,3)22/h4,11,13-14,22H,1,5-9H2,2-3H3/t11-,13+,14+,17+,18-/m0/s1
Canonical SMILES
C=C1CC2(OC2C)C(=O)OC2CCN3CC=C(COC(=O)C1(C)O)C23
Isomeric SMILES
C[C@H]1[C@@]2(O1)CC(=C)[C@@](C(=O)OCC3=CCN4[C@H]3[C@@H](CC4)OC2=O)(C)O

Synonyms

  • 13,19-didehydrojacobine
  • (1R,3'S,4S,7R,17R)-7-hydroxy-3',7-dimethyl-6-methylidenespiro[2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-4,2'-oxirane]-3,8-dione
  • Senecionan-11,16-dione, 13,19-didehydro-15,20-epoxy-15,20-dihydro-12-hydroxy-, (15alpha,20S)-
  • (1R,3'S,4S,7R,17R)-7-hydroxy-3',7-dimethyl-6-methylidenespiro(2,9-dioxa-14-azatricyclo(9.5.1.014,17)heptadec-11-ene-4,2'-oxirane)-3,8-dione
  • 12-hydroxy-13,19-didehydro-15,20-dihydro-15,20-epoxysenecionan-11,16-dione
  • (15S,20S)-12-hydroxy-13,19-didehydro-15,20-dihydro-15,20-epoxysenecionan-11,16-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
349.38 g/molcalc.
Exact mass
349.1525 Dacalc.
LogP (octanol/water)
0.32calc.
Topological polar surface area
88.6 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
0calc.
Heavy atoms
25calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.67calc.
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, C=C1CC(=O)OCC2=CCN3CCC(OC(=O)C4(CO4)C1)C23

C=C1CC(=O)OCC2=CCN3CCC(OC(=O)C4(CO4)C1)C23

4 rings, 22 atoms.

No other chemical in our database has 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.

Jacozine suppliers

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Jacozine 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

Roles

  • Jacobaea metabolite
  • eukaryotic metabolite
  • metabolite
  • plant metabolite

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

Frequently asked questions

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

What is Jacozine?

Jacozine is a pyrrolizine alkaloid that is seneciphylline in which the exocyclic double bond has been converted to the corresponding epoxide. It has a role as a Jacobaea metabolite.

What is the CAS number of Jacozine?

The CAS registry number of Jacozine is 5532-23-0.

What is the molecular formula and weight of Jacozine?

The molecular formula of Jacozine is C18H23NO6 and its molar mass is 349.38 g/mol.

What is Jacozine used for?

Known uses and roles of Jacozine include jacobaea metabolite, eukaryotic metabolite, metabolite and plant metabolite.

Is Jacozine hazardous?

No GHS hazard classification for Jacozine 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 Jacozine?

Jacozine 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 Jacozine?

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

What is the price of Jacozine?

Suppliers quote Jacozine 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 Jacozine

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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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