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Screening compounds

Vignaticol

Also known as (1R,2R,3S,6S,7R,9S,10R,11S,13R,14S)-3,7,10-trimethyl-11-propan-2-yl-15-oxapentacyclo(7.5.1.02,6.07,13.010,14)pentadecane-6,9,11,13,14-pentol, (1R,2R,3S,6S,7R,9S,10R,11S,13R,14S)-3,7,10-trimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.02,6.07,13.010,14]pentadecane-6,9,11,13,14-pentol

CAS 196090-80-9Formula C20H32O6Molar mass 368.47 g/mol
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Vignaticol chemical structure, C20H32O6, CAS 196090-80-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
196090-80-9
Formula
C20H32O6
Molar mass
368.47 g/mol
HS code
293299
Category
Screening compounds

What is Vignaticol?

Plain description, key identifiers and synonyms

Vignaticol has been reported in Persea indica.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,2R,3S,6S,7R,9S,10R,11S,13R,14S)-3,7,10-trimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.02,6.07,13.010,14]pentadecane-6,9,11,13,14-pentol
CAS number
196090-80-9
Molecular formula
C20H32O6
InChIKey
VBKHTSMCQKCAJR-PTIHWGKRSA-N
InChI
InChI=1S/C20H32O6/c1-10(2)17(22)9-18(23)14(4)8-19(24)15(17,5)20(18,25)13(26-19)12-11(3)6-7-16(12,14)21/h10-13,21-25H,6-9H2,1-5H3/t11-,12+,13+,14+,15-,16-,17-,18+,19-,20+/m0/s1
Canonical SMILES
CC1CCC2(O)C1C1OC3(O)CC2(C)C2(O)CC(O)(C(C)C)C3(C)C12O
Isomeric SMILES
C[C@H]1CC[C@@]2([C@H]1[C@@H]3[C@]4([C@]5([C@](C[C@]4([C@@]2(C[C@@]5(O3)O)C)O)(C(C)C)O)C)O)O

Synonyms

  • (1R,2R,3S,6S,7R,9S,10R,11S,13R,14S)-3,7,10-trimethyl-11-propan-2-yl-15-oxapentacyclo(7.5.1.02,6.07,13.010,14)pentadecane-6,9,11,13,14-pentol
  • (1R,2R,3S,6S,7R,9S,10R,11S,13R,14S)-3,7,10-trimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.02,6.07,13.010,14]pentadecane-6,9,11,13,14-pentol

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
368.47 g/molcalc.
Exact mass
368.2199 Dacalc.
LogP (octanol/water)
0.53calc.
Topological polar surface area
110.4 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
1calc.
Heavy atoms
26calc.
Rings
5calc.
Aromatic rings
0calc.
Fraction sp3 carbons
1calc.
Formal charge
0calc.
Stereocentres
10calc.
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, C1CC2C3CC4OC(C2C1)C1C4CCC31

C1CC2C3CC4OC(C2C1)C1C4CCC31

5 rings, 15 atoms.

11 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.

Vignaticol suppliers

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

Frequently asked questions

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

What is Vignaticol?

Vignaticol has been reported in Persea indica.

What is the CAS number of Vignaticol?

The CAS registry number of Vignaticol is 196090-80-9.

What is the molecular formula and weight of Vignaticol?

The molecular formula of Vignaticol is C20H32O6 and its molar mass is 368.47 g/mol.

What is Vignaticol used for?

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

Is Vignaticol hazardous?

No GHS hazard classification for Vignaticol 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 Vignaticol?

Vignaticol 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 Vignaticol?

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

What is the price of Vignaticol?

Suppliers quote Vignaticol 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 Vignaticol

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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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