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Screening compounds

Scalarin

Also known as (19R)-12alpha-acetyloxy-19-hydroxy-5alpha-scalarane-20,19-carbolactone, (17a(1)R)-12alpha-acetoxy-17a(1)-hydroxy-4,4,8,17,17abeta-pentamethyl-17a-homo-5alpha-androst-16-ene-17,17a(1)-carbolactone, (1S,2S,8R,9R,10R,11S,13R,14S,19S)-8-Hydroxy-1,10,14,18,18-pentamethyl-6-oxo-7-oxapentacyclo(11.8.0.0,.0,.0,)henicos-4-en-11-yl acetic acid

CAS 41410-58-6Formula C27H40O5Molar mass 444.61 g/mol
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Scalarin chemical structure, C27H40O5, CAS 41410-58-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
41410-58-6
Formula
C27H40O5
Molar mass
444.61 g/mol
HS code
293220
Category
Screening compounds

What is Scalarin?

Plain description, key identifiers and synonyms

Scalarin is a scalarane sesterterpenoid lactone, a metabolite of marine sponges of the family Thorectidae (order dictyoceratida). It has a role as a metabolite.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1R,5aS,5bR,7aS,11aS,11bR,13S,13aS,13bR)-1-hydroxy-5b,8,8,11a,13a-pentamethyl-3-oxo-5,5a,6,7,7a,9,10,11,11b,12,13,13b-dodecahydro-1H-phenanthro[2,1-e][2]benzofuran-13-yl] acetate
CAS number
41410-58-6
Molecular formula
C27H40O5
InChIKey
VLFJWLVMFJQJEU-HWOCEHATSA-N
InChI
InChI=1S/C27H40O5/c1-15(28)31-20-14-19-25(4)12-7-11-24(2,3)17(25)10-13-26(19,5)18-9-8-16-21(27(18,20)6)23(30)32-22(16)29/h8,17-21,23,30H,7,9-14H2,1-6H3/t17-,18-,19+,20-,21+,23+,25-,26-,27+/m0/s1
Canonical SMILES
CC(=O)OC1CC2C3(C)CCCC(C)(C)C3CCC2(C)C2CC=C3C(=O)OC(O)C3C12C
Isomeric SMILES
CC(=O)O[C@H]1C[C@@H]2[C@]3(CCCC([C@@H]3CC[C@]2([C@H]4[C@]1([C@H]5[C@@H](OC(=O)C5=CC4)O)C)C)(C)C)C

Synonyms

  • (19R)-12alpha-acetyloxy-19-hydroxy-5alpha-scalarane-20,19-carbolactone
  • (17a(1)R)-12alpha-acetoxy-17a(1)-hydroxy-4,4,8,17,17abeta-pentamethyl-17a-homo-5alpha-androst-16-ene-17,17a(1)-carbolactone
  • (1S,2S,8R,9R,10R,11S,13R,14S,19S)-8-Hydroxy-1,10,14,18,18-pentamethyl-6-oxo-7-oxapentacyclo(11.8.0.0,.0,.0,)henicos-4-en-11-yl acetic acid
  • (1S,2S,8R,9R,10R,11S,13R,14S,19S)-8-Hydroxy-1,10,14,18,18-pentamethyl-6-oxo-7-oxapentacyclo[11.8.0.0,.0,.0,]henicos-4-en-11-yl acetic acid
  • 12alpha-acetoxy-19alpha-hydroxyscalar-19,20-olide methanol solvate

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
444.61 g/molcalc.
Exact mass
444.2876 Dacalc.
LogP (octanol/water)
5.01calc.
Topological polar surface area
72.83 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
1calc.
Heavy atoms
32calc.
Rings
5calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.85calc.
Formal charge
0calc.
Stereocentres
9calc.
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=C1OCC2C1=CCC1C2CCC2C3CCCCC3CCC21

O=C1OCC2C1=CCC1C2CCC2C3CCCCC3CCC21

5 rings, 22 atoms.

2 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.

Scalarin suppliers

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Scalarin price

Indicative price range per kg from live supplier offers

No published prices right now

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Uses and applications

What the substance is used for, by industry and function

Roles

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

Frequently asked questions

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

What is Scalarin?

Scalarin is a scalarane sesterterpenoid lactone, a metabolite of marine sponges of the family Thorectidae (order dictyoceratida). It has a role as a metabolite.

What is the CAS number of Scalarin?

The CAS registry number of Scalarin is 41410-58-6.

What is the molecular formula and weight of Scalarin?

The molecular formula of Scalarin is C27H40O5 and its molar mass is 444.61 g/mol.

What is Scalarin used for?

Known uses and roles of Scalarin include cooling agents in flavors and fragrances, building blocks in research and laboratory, screening compounds in research and laboratory and metabolite.

Is Scalarin hazardous?

No GHS hazard classification for Scalarin 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 Scalarin?

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

Where can I buy Scalarin?

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

What is the price of Scalarin?

Suppliers quote Scalarin 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 Scalarin

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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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