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Screening compounds

Scillascillin

Also known as (R)-5,7-Dihydroxyspiro[2H-1-benzopyran-3(4H),5'(6'H)-cyclobuta[f][1,3]benzodioxol]-4-one

CAS 52706-07-7Formula C17H12O6Molar mass 312.28 g/mol
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Scillascillin chemical structure, C17H12O6, CAS 52706-07-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
52706-07-7
Formula
C17H12O6
Molar mass
312.28 g/mol
HS code
293299
Category
Screening compounds

What is Scillascillin?

Plain description, key identifiers and synonyms

(3R)-5,7-dihydroxy-2H-9',11'-dioxaspiro[1-benzopyran-3,4'-tricyclo[6.3.0.0³,⁶]undecane]-1'(8'),2',6'-trien-4-one has been reported in Scilla luciliae, Merwilla plumbea, and other organisms.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3R)-5,7-dihydroxyspiro[2H-chromene-3,4'-9,11-dioxatricyclo[6.3.0.03,6]undeca-1(8),2,6-triene]-4-one
CAS number
52706-07-7
Molecular formula
C17H12O6
InChIKey
SAXOGBBWXWKZKR-KRWDZBQOSA-N
InChI
InChI=1S/C17H12O6/c18-9-2-11(19)15-14(3-9)21-6-17(16(15)20)5-8-1-12-13(4-10(8)17)23-7-22-12/h1-4,18-19H,5-7H2/t17-/m0/s1
Canonical SMILES
O=C1c2c(O)cc(O)cc2OCC12Cc1cc3c(cc12)OCO3
Isomeric SMILES
C1C2=CC3=C(C=C2[C@@]14COC5=CC(=CC(=C5C4=O)O)O)OCO3

Synonyms

  • (R)-5,7-Dihydroxyspiro[2H-1-benzopyran-3(4H),5'(6'H)-cyclobuta[f][1,3]benzodioxol]-4-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
312.28 g/molcalc.
Exact mass
312.0634 Dacalc.
LogP (octanol/water)
1.9calc.
Topological polar surface area
85.22 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
0calc.
Heavy atoms
23calc.
Rings
5calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.24calc.
Formal charge
0calc.
Stereocentres
1calc.
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=C1c2ccccc2OCC12Cc1cc3c(cc12)OCO3

O=C1c2ccccc2OCC12Cc1cc3c(cc12)OCO3

5 rings, 21 atoms.

1 other chemical 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.

Scillascillin suppliers

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Scillascillin 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 Scillascillin is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Scillascillin?

(3R)-5,7-dihydroxy-2H-9',11'-dioxaspiro[1-benzopyran-3,4'-tricyclo[6.3.0.0³,⁶]undecane]-1'(8'),2',6'-trien-4-one has been reported in Scilla luciliae, Merwilla plumbea, and other organisms.

What is the CAS number of Scillascillin?

The CAS registry number of Scillascillin is 52706-07-7.

What is the molecular formula and weight of Scillascillin?

The molecular formula of Scillascillin is C17H12O6 and its molar mass is 312.28 g/mol.

What is Scillascillin used for?

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

Is Scillascillin hazardous?

No GHS hazard classification for Scillascillin 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 Scillascillin?

Scillascillin is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Scillascillin?

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

What is the price of Scillascillin?

Suppliers quote Scillascillin 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 Scillascillin

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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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