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Screening compounds

Sch53514

Also known as (1A'R,2a'R,6'S,6a'S,7'S,7a'R)-6',7'-dihydroxy-1a',7a'-dihydro-7'H-spiro[naphtho[1,8-de][1,3]dioxine-2,2'-[2a,6a]epoxynaphtho[2,3-b]oxiren]-3'(6'H)-one, Spiro[2a,6a-epoxynaphth[2,3-b]oxirene-2(1aH),2'-naphtho[1,8-de][1,3]dioxin]-3(6H)-one, 7,7a-dihydro-6,7-dihydroxy-, (1aR,2aR,6S,6aS,7S,7aR)-

CAS 152607-03-9Formula C20H14O7Molar mass 366.33 g/mol
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Sch53514 chemical structure, C20H14O7, CAS 152607-03-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
152607-03-9
Formula
C20H14O7
Molar mass
366.33 g/mol
HS code
293299
Category
Screening compounds

What is Sch53514?

Plain description, key identifiers and synonyms

Sch53514 is a member of naphthalenes.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1'S,2'S,3'R,5'R,7'R,11'S)-2',11'-dihydroxyspiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,6'-4,12-dioxatetracyclo[5.4.1.01,7.03,5]dodec-9-ene]-8'-one
CAS number
152607-03-9
Molecular formula
C20H14O7
InChIKey
AUWGMDYISSBOED-CCNMWVGKSA-N
InChI
InChI=1S/C20H14O7/c21-12-7-8-13(22)19-18(12,27-19)16(23)15-17(24-15)20(19)25-10-5-1-3-9-4-2-6-11(26-20)14(9)10/h1-8,12,15-17,21,23H/t12-,15+,16-,17+,18-,19-/m0/s1
Canonical SMILES
O=C1C=CC(O)C23OC12C1(Oc2cccc4cccc(c24)O1)C1OC1C3O
Isomeric SMILES
C1=CC2=C3C(=C1)OC4([C@H]5[C@H](O5)[C@@H]([C@@]67[C@@]4(O6)C(=O)C=C[C@@H]7O)O)OC3=CC=C2

Synonyms

  • (1A'R,2a'R,6'S,6a'S,7'S,7a'R)-6',7'-dihydroxy-1a',7a'-dihydro-7'H-spiro[naphtho[1,8-de][1,3]dioxine-2,2'-[2a,6a]epoxynaphtho[2,3-b]oxiren]-3'(6'H)-one
  • Spiro[2a,6a-epoxynaphth[2,3-b]oxirene-2(1aH),2'-naphtho[1,8-de][1,3]dioxin]-3(6H)-one, 7,7a-dihydro-6,7-dihydroxy-, (1aR,2aR,6S,6aS,7S,7aR)-

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
366.33 g/molcalc.
Exact mass
366.074 Dacalc.
LogP (octanol/water)
0.46calc.
Topological polar surface area
101.1 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
0calc.
Heavy atoms
27calc.
Rings
7calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.35calc.
Formal charge
0calc.
Stereocentres
6calc.
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=C1C=CCC23CC4OC4C4(Oc5cccc6cccc(c56)O4)C12O3

O=C1C=CCC23CC4OC4C4(Oc5cccc6cccc(c56)O4)C12O3

7 rings, 25 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.

Sch53514 suppliers

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Sch53514 price

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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 Sch53514 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 Sch53514 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Sch53514, based on the data on this page

What is Sch53514?

Sch53514 is a member of naphthalenes.

What is the CAS number of Sch53514?

The CAS registry number of Sch53514 is 152607-03-9.

What is the molecular formula and weight of Sch53514?

The molecular formula of Sch53514 is C20H14O7 and its molar mass is 366.33 g/mol.

What is Sch53514 used for?

Known uses and roles of Sch53514 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Sch53514 hazardous?

No GHS hazard classification for Sch53514 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 Sch53514?

Sch53514 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 Sch53514?

Post a free request on CompoundList and suppliers of Sch53514 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Sch53514?

Suppliers quote Sch53514 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 Sch53514

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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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