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Screening compounds

Stemphyltoxin III

Also known as (10R,11S,12R,14R)-5,10,17-trihydroxy-13-oxahexacyclo(9.8.1.12,6.012,14.016,20.010,21)henicosa-1(20),2(21),3,5,8,16,18-heptaene-7,15-dione, (10R,11S,12R,14R)-5,10,17-trihydroxy-13-oxahexacyclo[9.8.1.12,6.012,14.016,20.010,21]henicosa-1(20),2(21),3,5,8,16,18-heptaene-7,15-dione, Perylo(1,2-b)oxirene-7,11-dione, 7a,8a,8b,8c-tetrahydro-1,6,8c-trihydroxy-, (7aR-(7aalpha,8aalpha,8bbeta,8calpha))-

CAS 102694-32-6Formula C20H12O6Molar mass 348.31 g/mol
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Stemphyltoxin III chemical structure, C20H12O6, CAS 102694-32-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
102694-32-6
Formula
C20H12O6
Molar mass
348.31 g/mol
HS code
291450
Category
Screening compounds

What is Stemphyltoxin III?

Plain description, key identifiers and synonyms

Stemphyltoxin III is a naphthalenone.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(10R,11S,12R,14R)-5,10,17-trihydroxy-13-oxahexacyclo[9.8.1.12,6.012,14.016,20.010,21]henicosa-1(20),2(21),3,5,8,16,18-heptaene-7,15-dione
CAS number
102694-32-6
Molecular formula
C20H12O6
InChIKey
OXZKROMWFXHLSV-RNQOJCNYSA-N
InChI
InChI=1S/C20H12O6/c21-9-4-2-8-7-1-3-10(22)14-12(7)16(18-19(26-18)17(14)24)20(25)6-5-11(23)13(9)15(8)20/h1-6,16,18-19,21-22,25H/t16-,18+,19-,20-/m0/s1
Canonical SMILES
O=C1C=CC2(O)c3c(ccc(O)c31)-c1ccc(O)c3c1C2C1OC1C3=O
Isomeric SMILES
C1=CC(=C2C3=C1C4=C5C(=C(C=C4)O)C(=O)C=C[C@]5([C@@H]3[C@@H]6[C@H](C2=O)O6)O)O

Synonyms

  • (10R,11S,12R,14R)-5,10,17-trihydroxy-13-oxahexacyclo(9.8.1.12,6.012,14.016,20.010,21)henicosa-1(20),2(21),3,5,8,16,18-heptaene-7,15-dione
  • (10R,11S,12R,14R)-5,10,17-trihydroxy-13-oxahexacyclo[9.8.1.12,6.012,14.016,20.010,21]henicosa-1(20),2(21),3,5,8,16,18-heptaene-7,15-dione
  • Perylo(1,2-b)oxirene-7,11-dione, 7a,8a,8b,8c-tetrahydro-1,6,8c-trihydroxy-, (7aR-(7aalpha,8aalpha,8bbeta,8calpha))-
  • 3,6a,10-trihydroxy-4,9-dioxo-4,6a,6b,7,8,9-hexahydro-7,8-epoxyperylene

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
348.31 g/molcalc.
Exact mass
348.0634 Dacalc.
LogP (octanol/water)
1.77calc.
Topological polar surface area
107.4 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
0calc.
Heavy atoms
26calc.
Rings
6calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.2calc.
Formal charge
0calc.
Stereocentres
4calc.
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=CC2c3c1cccc3-c1cccc3c1C2C1OC1C3=O

O=C1C=CC2c3c1cccc3-c1cccc3c1C2C1OC1C3=O

6 rings, 23 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.

Stemphyltoxin III suppliers

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Stemphyltoxin III 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 Stemphyltoxin III is traded under.

HS 2914.50Indicative HS code

Ketone-phenols and ketones with other oxygen function

World exports in 2024
$438M
+10.9% vs 2023, imports $420M
2019 to 2024
Top exporters
  1. China50.5%
  2. India * partner reported11.6%
  3. United States11.3%
Top importers
  1. United States20.8%
  2. Germany10.0%
  3. Netherlands8.6%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Stemphyltoxin III, based on the data on this page

What is Stemphyltoxin III?

Stemphyltoxin III is a naphthalenone.

What is the CAS number of Stemphyltoxin III?

The CAS registry number of Stemphyltoxin III is 102694-32-6.

What is the molecular formula and weight of Stemphyltoxin III?

The molecular formula of Stemphyltoxin III is C20H12O6 and its molar mass is 348.31 g/mol.

What is Stemphyltoxin III used for?

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

Is Stemphyltoxin III hazardous?

No GHS hazard classification for Stemphyltoxin III 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 Stemphyltoxin III?

Stemphyltoxin III is usually classified under HS code 291450 (Ketone-phenols and ketones with other oxygen function). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Stemphyltoxin III?

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

What is the price of Stemphyltoxin III?

Suppliers quote Stemphyltoxin III 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 Stemphyltoxin III

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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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