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Screening compounds

Cespitularin A

Also known as (3E,10R)-3,17,17-trimethyl-7-methylidene-15-oxatricyclo[8.5.2.013,16]heptadeca-1(16),3,13-trien-5-ol, (3E,10R)-3,17,17-trimethyl-7-methylidene-15-oxatricyclo(8.5.2.013,16)heptadeca-1(16),3,13-trien-5-ol

CAS 473911-35-2Formula C20H28O2Molar mass 300.44 g/mol
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Cespitularin A chemical structure, C20H28O2, CAS 473911-35-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
473911-35-2
Formula
C20H28O2
Molar mass
300.44 g/mol
HS code
293299
Category
Screening compounds

What is Cespitularin A?

Plain description, key identifiers and synonyms

Cespitularin A is a chemical substance with the molecular formula C20H28O2 and a molar mass of 300.44 g/mol. Its CAS registry number is 473911-35-2. The IUPAC name is (3E,10R)-3,17,17-trimethyl-7-methylidene-15-oxatricyclo[8.5.2.013,16]heptadeca-1(16),3,13-trien-5-ol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3E,10R)-3,17,17-trimethyl-7-methylidene-15-oxatricyclo[8.5.2.013,16]heptadeca-1(16),3,13-trien-5-ol
CAS number
473911-35-2
Molecular formula
C20H28O2
InChIKey
JVNAZMDBBAYMLF-AUORYKPQSA-N
InChI
InChI=1S/C20H28O2/c1-13-5-7-16-8-6-15-12-22-18(19(15)20(16,3)4)11-14(2)10-17(21)9-13/h10,12,16-17,21H,1,5-9,11H2,2-4H3/b14-10+/t16-,17?/m1/s1
Canonical SMILES
C=C1CCC2CCc3coc(c3C2(C)C)CC(C)=CC(O)C1
Isomeric SMILES
C/C/1=C\C(CC(=C)CC[C@@H]2CCC3=COC(=C3C2(C)C)C1)O

Synonyms

  • (3E,10R)-3,17,17-trimethyl-7-methylidene-15-oxatricyclo[8.5.2.013,16]heptadeca-1(16),3,13-trien-5-ol
  • (3E,10R)-3,17,17-trimethyl-7-methylidene-15-oxatricyclo(8.5.2.013,16)heptadeca-1(16),3,13-trien-5-ol

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
300.44 g/molcalc.
Exact mass
300.2089 Dacalc.
LogP (octanol/water)
4.71calc.
Topological polar surface area
33.37 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
0calc.
Heavy atoms
22calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.6calc.
Formal charge
0calc.
Stereocentres
2calc.
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, C=C1CCC=CCc2occ3c2CC(CC1)CC3

C=C1CCC=CCc2occ3c2CC(CC1)CC3

3 rings, 18 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.

Cespitularin A suppliers

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

Frequently asked questions

Quick answers about Cespitularin A, based on the data on this page

What is Cespitularin A?

Cespitularin A is a chemical substance with the molecular formula C20H28O2 and a molar mass of 300.44 g/mol. Its CAS registry number is 473911-35-2. The IUPAC name is (3E,10R)-3,17,17-trimethyl-7-methylidene-15-oxatricyclo[8.5.2.013,16]heptadeca-1(16),3,13-trien-5-ol.

What is the CAS number of Cespitularin A?

The CAS registry number of Cespitularin A is 473911-35-2.

What is the molecular formula and weight of Cespitularin A?

The molecular formula of Cespitularin A is C20H28O2 and its molar mass is 300.44 g/mol.

What is Cespitularin A used for?

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

Is Cespitularin A hazardous?

No GHS hazard classification for Cespitularin A 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 Cespitularin A?

Cespitularin A 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 Cespitularin A?

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

What is the price of Cespitularin A?

Suppliers quote Cespitularin A 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 Cespitularin A

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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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