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Screening compounds

Diepoxin sigma

Also known as Spiro(2a,6a-epoxynaphth(2,3-b)oxirene-2(1aH),2'-naphtho(1,8-de)(1,3)dioxin)-3,7(6H,7aH)-dione, 6-hydroxy-,(1aS-(1aalpha,2abeta,6alpha,6abeta,7aalpha))-, (1aR,6S,7aS)-6-Hydroxy-1aH-spiro[2a,6a-epoxynaphtho[2,3-b]oxirene-2,2'-naphtho[1,8-de][1,3]dioxine]-3,7(6H,7aH)-dione, 6-Hydroxy-1aH-spiro[2a,6a-epoxynaphtho[2,3-b]oxirene-2,2'-naphtho[1,8-de][1,3]dioxine]-3,7(6H,7aH)-dione

CAS 152697-41-1Formula C20H12O7Molar mass 364.31 g/mol
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Diepoxin sigma chemical structure, C20H12O7, CAS 152697-41-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
152697-41-1
Formula
C20H12O7
Molar mass
364.31 g/mol
HS code
293299
Category
Screening compounds

What is Diepoxin sigma?

Plain description, key identifiers and synonyms

Diepoxin sigma is a chemical substance with the molecular formula C20H12O7 and a molar mass of 364.31 g/mol. Its CAS registry number is 152697-41-1. The IUPAC name is (3'S,5'R,11'S)-11'-hydroxyspiro[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]-2',8'-dione.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3'S,5'R,11'S)-11'-hydroxyspiro[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]-2',8'-dione
CAS number
152697-41-1 CAS number cross-checked
Molecular formula
C20H12O7
InChIKey
HYDQYYPALJMCCU-IBOFRUOLSA-N
InChI
InChI=1S/C20H12O7/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/h1-8,12,15,17,21H/t12-,15+,17+,18?,19?/m0/s1
Canonical SMILES
O=C1C2OC2C2(Oc3cccc4cccc(c34)O2)C23OC12C(O)C=CC3=O
Isomeric SMILES
C1=CC2=C3C(=C1)OC4([C@H]5[C@H](O5)C(=O)C67C4(O6)C(=O)C=C[C@@H]7O)OC3=CC=C2

Synonyms

  • Spiro(2a,6a-epoxynaphth(2,3-b)oxirene-2(1aH),2'-naphtho(1,8-de)(1,3)dioxin)-3,7(6H,7aH)-dione, 6-hydroxy-,(1aS-(1aalpha,2abeta,6alpha,6abeta,7aalpha))-
  • (1aR,6S,7aS)-6-Hydroxy-1aH-spiro[2a,6a-epoxynaphtho[2,3-b]oxirene-2,2'-naphtho[1,8-de][1,3]dioxine]-3,7(6H,7aH)-dione
  • 6-Hydroxy-1aH-spiro[2a,6a-epoxynaphtho[2,3-b]oxirene-2,2'-naphtho[1,8-de][1,3]dioxine]-3,7(6H,7aH)-dione
  • Spiro(2a,6a-epoxynaphth(2,3-b)oxirene-2(1aH),2'-naphtho(1,8-de)(1,3)dioxin)-3,7(6H,7aH)-dione, 6-hydroxy-, (1aS-(1aalpha,2abeta,6alpha,6abeta,7aalpha))-

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
364.31 g/molcalc.
Exact mass
364.0583 Dacalc.
LogP (octanol/water)
0.66calc.
Topological polar surface area
97.89 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
0calc.
Heavy atoms
27calc.
Rings
7calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.3calc.
Formal charge
0calc.
Stereocentres
5calc.
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=C1C2OC2C2(Oc3cccc4cccc(c34)O2)C23OC12CC=CC3=O

O=C1C2OC2C2(Oc3cccc4cccc(c34)O2)C23OC12CC=CC3=O

7 rings, 26 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.

Diepoxin sigma suppliers

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

Frequently asked questions

Quick answers about Diepoxin sigma, based on the data on this page

What is Diepoxin sigma?

Diepoxin sigma is a chemical substance with the molecular formula C20H12O7 and a molar mass of 364.31 g/mol. Its CAS registry number is 152697-41-1.

What is the CAS number of Diepoxin sigma?

The CAS registry number of Diepoxin sigma is 152697-41-1.

What is the molecular formula and weight of Diepoxin sigma?

The molecular formula of Diepoxin sigma is C20H12O7 and its molar mass is 364.31 g/mol.

What is Diepoxin sigma used for?

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

Is Diepoxin sigma hazardous?

No GHS hazard classification for Diepoxin sigma 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 Diepoxin sigma?

Diepoxin sigma 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 Diepoxin sigma?

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

What is the price of Diepoxin sigma?

Suppliers quote Diepoxin sigma 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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