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Screening compounds

Centratherin

Also known as ((2Z,4R,8R,9S,11R)-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo(9.2.1.04,8)tetradeca-1(13),2-dien-9-yl) (Z)-2-methylbut-2-enoate, (3aR,4S,6R,10Z,11aR)-10-(Hydroxymethyl)-6-methyl-3-methylidene-2,7-dioxo-2,3,3a,4,5,6,7,11a-octahydro-6,9-epoxycyclodeca[b]furan-4-yl (2Z)-2-methylbut-2-enoate

CAS 71939-83-8Formula C20H22O7Molar mass 374.39 g/mol
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Centratherin chemical structure, C20H22O7, CAS 71939-83-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
71939-83-8
Formula
C20H22O7
Molar mass
374.39 g/mol
HS code
293220
Category
Screening compounds

What is Centratherin?

Plain description, key identifiers and synonyms

Centratherin has been reported in Lychnophora ericoides, Centratherum punctatum, and other organisms.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(2Z,4R,8R,9S,11R)-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] (Z)-2-methylbut-2-enoate
CAS number
71939-83-8
Molecular formula
C20H22O7
InChIKey
BMVJFNLJSZHNNS-YUDFMKBLSA-N
InChI
InChI=1S/C20H22O7/c1-5-10(2)18(23)26-15-8-20(4)16(22)7-13(27-20)12(9-21)6-14-17(15)11(3)19(24)25-14/h5-7,14-15,17,21H,3,8-9H2,1-2,4H3/b10-5-,12-6-/t14-,15+,17+,20-/m1/s1
Canonical SMILES
C=C1C(=O)OC2C=C(CO)C3=CC(=O)C(C)(CC(OC(=O)C(C)=CC)C12)O3
Isomeric SMILES
C/C=C(/C)\C(=O)O[C@H]1C[C@@]2(C(=O)C=C(O2)/C(=C\[C@@H]3[C@@H]1C(=C)C(=O)O3)/CO)C

Synonyms

  • ((2Z,4R,8R,9S,11R)-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo(9.2.1.04,8)tetradeca-1(13),2-dien-9-yl) (Z)-2-methylbut-2-enoate
  • (3aR,4S,6R,10Z,11aR)-10-(Hydroxymethyl)-6-methyl-3-methylidene-2,7-dioxo-2,3,3a,4,5,6,7,11a-octahydro-6,9-epoxycyclodeca[b]furan-4-yl (2Z)-2-methylbut-2-enoate

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
374.39 g/molcalc.
Exact mass
374.1366 Dacalc.
LogP (octanol/water)
1.53calc.
Topological polar surface area
99.13 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
3calc.
Heavy atoms
27calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.45calc.
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, C=C1C(=O)OC2C=CC3=CC(=O)C(CCC12)O3

C=C1C(=O)OC2C=CC3=CC(=O)C(CCC12)O3

3 rings, 17 atoms.

12 other chemicals 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.

Centratherin suppliers

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Centratherin 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 Centratherin is traded under.

HS 2932.20Indicative HS code

Lactones

World exports in 2024
$1.97B
−4.7% vs 2023, imports $2.07B
2019 to 2024
Top exporters
  1. China56.3%
  2. India * partner reported7.4%
  3. Germany7.3%
Top importers
  1. United States14.2%
  2. India * partner reported13.5%
  3. Brazil8.5%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Centratherin?

Centratherin has been reported in Lychnophora ericoides, Centratherum punctatum, and other organisms.

What is the CAS number of Centratherin?

The CAS registry number of Centratherin is 71939-83-8.

What is the molecular formula and weight of Centratherin?

The molecular formula of Centratherin is C20H22O7 and its molar mass is 374.39 g/mol.

What is Centratherin used for?

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

Is Centratherin hazardous?

No GHS hazard classification for Centratherin 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 Centratherin?

Centratherin is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Centratherin?

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

What is the price of Centratherin?

Suppliers quote Centratherin 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 Centratherin

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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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