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Screening compounds

Ircinianin

Also known as (2S,3'S,3a'R,5'R,7a'R)-5'-[(E)-5-(Furan-3-yl)-2-methylpent-1-en-1-yl]-3-hydroxy-3',4,7'-trimethyl-1',2',3',3a',5',7a'-hexahydro-5H-spiro[furan-2,4'-inden]-5-one

CAS 63555-48-6Formula C25H32O4Molar mass 396.53 g/mol
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Ircinianin chemical structure, C25H32O4, CAS 63555-48-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
63555-48-6
Formula
C25H32O4
Molar mass
396.53 g/mol
HS code
293220
Category
Screening compounds

What is Ircinianin?

Plain description, key identifiers and synonyms

Ircinianin is a chemical substance with the molecular formula C25H32O4 and a molar mass of 396.53 g/mol. Its CAS registry number is 63555-48-6. The IUPAC name is (3S,3aR,4S,5R,7aR)-5-[(E)-5-(furan-3-yl)-2-methylpent-1-enyl]-4'-hydroxy-3,3',7-trimethylspiro[1,2,3,3a,5,7a-hexahydroindene-4,5'-furan]-2'-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3S,3aR,4S,5R,7aR)-5-[(E)-5-(furan-3-yl)-2-methylpent-1-enyl]-4'-hydroxy-3,3',7-trimethylspiro[1,2,3,3a,5,7a-hexahydroindene-4,5'-furan]-2'-one
CAS number
63555-48-6
Molecular formula
C25H32O4
InChIKey
ONJNDTZVKWTRJZ-ZHBDJUTOSA-N
InChI
InChI=1S/C25H32O4/c1-15(6-5-7-19-10-11-28-14-19)12-20-13-17(3)21-9-8-16(2)22(21)25(20)23(26)18(4)24(27)29-25/h10-14,16,20-22,26H,5-9H2,1-4H3/b15-12+/t16-,20+,21-,22+,25-/m0/s1
Canonical SMILES
CC(=CC1C=C(C)C2CCC(C)C2C12OC(=O)C(C)=C2O)CCCc1ccoc1
Isomeric SMILES
C[C@H]1CC[C@@H]2[C@@H]1[C@@]3([C@@H](C=C2C)/C=C(\C)/CCCC4=COC=C4)C(=C(C(=O)O3)C)O

Synonyms

  • (2S,3'S,3a'R,5'R,7a'R)-5'-[(E)-5-(Furan-3-yl)-2-methylpent-1-en-1-yl]-3-hydroxy-3',4,7'-trimethyl-1',2',3',3a',5',7a'-hexahydro-5H-spiro[furan-2,4'-inden]-5-one

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
396.53 g/molcalc.
Exact mass
396.2301 Dacalc.
LogP (octanol/water)
5.91calc.
Topological polar surface area
59.67 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
5calc.
Heavy atoms
29calc.
Rings
4calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.56calc.
Formal charge
0calc.
Stereocentres
5calc.
Lipinski rule of five
Passes (1 violation)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=C1C=CC2(O1)C(C=CCCCc1ccoc1)C=CC1CCCC12

O=C1C=CC2(O1)C(C=CCCCc1ccoc1)C=CC1CCCC12

4 rings, 24 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.

Ircinianin suppliers

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Ircinianin 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 Ircinianin is traded under.

HS 2932.20Indicative HS code

Lactones

World exports in 2024
$1.97B
−4.7% vs 2023, imports $2.07B
2019 to 2024
Top exporters
  1. China56.3%
  2. India * partner reported7.4%
  3. Germany7.3%
Top importers
  1. United States14.2%
  2. India * partner reported13.5%
  3. Brazil8.5%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Ircinianin?

Ircinianin is a chemical substance with the molecular formula C25H32O4 and a molar mass of 396.53 g/mol. Its CAS registry number is 63555-48-6. The IUPAC name is (3S,3aR,4S,5R,7aR)-5-[(E)-5-(furan-3-yl)-2-methylpent-1-enyl]-4'-hydroxy-3,3',7-trimethylspiro[1,2,3,3a,5,7a-hexahydroindene-4,5'-furan]-2'-one.

What is the CAS number of Ircinianin?

The CAS registry number of Ircinianin is 63555-48-6.

What is the molecular formula and weight of Ircinianin?

The molecular formula of Ircinianin is C25H32O4 and its molar mass is 396.53 g/mol.

What is Ircinianin used for?

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

Is Ircinianin hazardous?

No GHS hazard classification for Ircinianin 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 Ircinianin?

Ircinianin is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Ircinianin?

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

What is the price of Ircinianin?

Suppliers quote Ircinianin 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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