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Screening compounds

Spiranine

Also known as 25-Norparsonsine, 24-ethyl-16-hydroxy-, (12xi,13xi,17.xi.)-, 25-Norparsonsine, 24-ethyl-16-hydroxy-, (12xi,13xi,17xi)-, (1R,4R,5R,8R,9S,19R)-4-butan-2-yl-4,5,9-trihydroxy-8-methyl-9-propan-2-yl-2,7,11-trioxa-16-azatricyclo[11.5.1.016,19]nonadec-13-ene-3,6,10-trione

CAS 77156-23-1Formula C23H35NO9Molar mass 469.53 g/mol
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Spiranine chemical structure, C23H35NO9, CAS 77156-23-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
77156-23-1
Formula
C23H35NO9
Molar mass
469.53 g/mol
HS code
293499
Category
Screening compounds

What is Spiranine?

Plain description, key identifiers and synonyms

Spiranine is a chemical substance with the molecular formula C23H35NO9 and a molar mass of 469.53 g/mol. Its CAS registry number is 77156-23-1. The IUPAC name is (1R,4R,5R,8R,9S,19R)-4-butan-2-yl-4,5,9-trihydroxy-8-methyl-9-propan-2-yl-2,7,11-trioxa-16-azatricyclo[11.5.1.016,19]nonadec-13-ene-3,6,10-trione.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,4R,5R,8R,9S,19R)-4-butan-2-yl-4,5,9-trihydroxy-8-methyl-9-propan-2-yl-2,7,11-trioxa-16-azatricyclo[11.5.1.016,19]nonadec-13-ene-3,6,10-trione
CAS number
77156-23-1
Molecular formula
C23H35NO9
UNII
4758ROY4TY
InChIKey
LYCHAEUHBIADIF-CRUIESPDSA-N
InChI
InChI=1S/C23H35NO9/c1-6-13(4)23(30)18(25)19(26)32-14(5)22(29,12(2)3)20(27)31-11-15-7-9-24-10-8-16(17(15)24)33-21(23)28/h7,12-14,16-18,25,29-30H,6,8-11H2,1-5H3/t13?,14-,16-,17-,18+,22+,23-/m1/s1
Canonical SMILES
CCC(C)C1(O)C(=O)OC2CCN3CC=C(COC(=O)C(O)(C(C)C)C(C)OC(=O)C1O)C23
Isomeric SMILES
CCC(C)[C@]1([C@H](C(=O)O[C@@H]([C@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(C(C)C)O)C)O)O

Synonyms

  • 25-Norparsonsine, 24-ethyl-16-hydroxy-, (12xi,13xi,17.xi.)-
  • 25-Norparsonsine, 24-ethyl-16-hydroxy-, (12xi,13xi,17xi)-
  • (1R,4R,5R,8R,9S,19R)-4-butan-2-yl-4,5,9-trihydroxy-8-methyl-9-propan-2-yl-2,7,11-trioxa-16-azatricyclo[11.5.1.016,19]nonadec-13-ene-3,6,10-trione

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
469.53 g/molcalc.
Exact mass
469.2312 Dacalc.
LogP (octanol/water)
-0.07calc.
Topological polar surface area
142.8 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
3calc.
Heavy atoms
33calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.78calc.
Formal charge
0calc.
Stereocentres
7calc.
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=C1CCC(=O)OC2CCN3CC=C(COC(=O)CCO1)C23

O=C1CCC(=O)OC2CCN3CC=C(COC(=O)CCO1)C23

3 rings, 22 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.

Spiranine suppliers

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

Frequently asked questions

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

What is Spiranine?

Spiranine is a chemical substance with the molecular formula C23H35NO9 and a molar mass of 469.53 g/mol. Its CAS registry number is 77156-23-1. The IUPAC name is (1R,4R,5R,8R,9S,19R)-4-butan-2-yl-4,5,9-trihydroxy-8-methyl-9-propan-2-yl-2,7,11-trioxa-16-azatricyclo[11.5.1.016,19]nonadec-13-ene-3,6,10-trione.

What is the CAS number of Spiranine?

The CAS registry number of Spiranine is 77156-23-1.

What is the molecular formula and weight of Spiranine?

The molecular formula of Spiranine is C23H35NO9 and its molar mass is 469.53 g/mol.

What is Spiranine used for?

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

Is Spiranine hazardous?

No GHS hazard classification for Spiranine 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 Spiranine?

Spiranine 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 Spiranine?

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

What is the price of Spiranine?

Suppliers quote Spiranine 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 Spiranine

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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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