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Screening compounds

Divinatorin C

Also known as (4aR,5R,6R,8aR)-6-(acetyloxymethyl)-5-(2-(furan-3-yl)ethyl)-5,8a-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid, (4aR,5R,6R,8aR)-6-(acetyloxymethyl)-5-[2-(furan-3-yl)ethyl]-5,8a-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid

CAS 611228-06-9Formula C22H30O5Molar mass 374.48 g/mol
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Divinatorin C chemical structure, C22H30O5, CAS 611228-06-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
611228-06-9
Formula
C22H30O5
Molar mass
374.48 g/mol
HS code
293219
Category
Screening compounds

What is Divinatorin C?

Plain description, key identifiers and synonyms

Divinatorin C has been reported in Salvia divinorum.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4aR,5R,6R,8aR)-6-(acetyloxymethyl)-5-[2-(furan-3-yl)ethyl]-5,8a-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
CAS number
611228-06-9
Molecular formula
C22H30O5
InChIKey
CSQRHRPGMJMXPY-TZEULACYSA-N
InChI
InChI=1S/C22H30O5/c1-15(23)27-14-17-8-11-22(3)18(20(24)25)5-4-6-19(22)21(17,2)10-7-16-9-12-26-13-16/h5,9,12-13,17,19H,4,6-8,10-11,14H2,1-3H3,(H,24,25)/t17-,19+,21-,22-/m0/s1
Canonical SMILES
CC(=O)OCC1CCC2(C)C(C(=O)O)=CCCC2C1(C)CCc1ccoc1
Isomeric SMILES
CC(=O)OC[C@@H]1CC[C@@]2([C@@H]([C@@]1(C)CCC3=COC=C3)CCC=C2C(=O)O)C

Synonyms

  • (4aR,5R,6R,8aR)-6-(acetyloxymethyl)-5-(2-(furan-3-yl)ethyl)-5,8a-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
  • (4aR,5R,6R,8aR)-6-(acetyloxymethyl)-5-[2-(furan-3-yl)ethyl]-5,8a-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid

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
374.48 g/molcalc.
Exact mass
374.2093 Dacalc.
LogP (octanol/water)
4.62calc.
Topological polar surface area
76.74 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
6calc.
Heavy atoms
27calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.64calc.
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, C1=CC2CCCC(CCc3ccoc3)C2CC1

C1=CC2CCCC(CCc3ccoc3)C2CC1

3 rings, 17 atoms.

10 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.

Divinatorin C suppliers

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Divinatorin C 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 Divinatorin C is traded under.

HS 2932.19Indicative HS code

Compounds containing an unfused furan ring (whether or not hydrogenated) in the…

World exports in 2024
$2.62B
−6.4% vs 2023, imports $2.56B
2019 to 2024
Top exporters
  1. Germany57.9%
  2. Italy11.5%
  3. China10.4%
Top importers
  1. Greece40.4%
  2. Japan16.3%
  3. Germany12.8%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

Quick answers about Divinatorin C, based on the data on this page

What is Divinatorin C?

Divinatorin C has been reported in Salvia divinorum.

What is the CAS number of Divinatorin C?

The CAS registry number of Divinatorin C is 611228-06-9.

What is the molecular formula and weight of Divinatorin C?

The molecular formula of Divinatorin C is C22H30O5 and its molar mass is 374.48 g/mol.

What is Divinatorin C used for?

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

Is Divinatorin C hazardous?

No GHS hazard classification for Divinatorin C 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 Divinatorin C?

Divinatorin C is usually classified under HS code 293219 (Compounds containing an unfused furan ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Divinatorin C?

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What is the price of Divinatorin C?

Suppliers quote Divinatorin C 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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