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Screening compounds

Pseurata C

Also known as ((1R,2R,4S,6S,9R,10S,13S,16R)-2,16-dihydroxy-5,5,9-trimethyl-14-methylidene-12,15-dioxo-6-tetracyclo(11.2.1.01,10.04,9)hexadecanyl) acetate, (1R,2R,4S,6S,9R,10S,13S,16S)-2,16-Dihydroxy-5,5,9-trimethyl-14-methylidene-12,15-dioxotetracyclo(11.2.1.0,.0,)hexadecan-6-yl acetic acid, (1R,2R,4S,6S,9R,10S,13S,16S)-2,16-Dihydroxy-5,5,9-trimethyl-14-methylidene-12,15-dioxotetracyclo[11.2.1.0,.0,]hexadecan-6-yl acetic acid

CAS 130396-70-2Formula C22H30O6Molar mass 390.48 g/mol
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Pseurata C chemical structure, C22H30O6, CAS 130396-70-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
130396-70-2
Formula
C22H30O6
Molar mass
390.48 g/mol
HS code
291539
Category
Screening compounds

What is Pseurata C?

Plain description, key identifiers and synonyms

Pseurata C has been reported in Isodon japonicus and Isodon pharicus.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1R,2R,4S,6S,9R,10S,13S,16R)-2,16-dihydroxy-5,5,9-trimethyl-14-methylidene-12,15-dioxo-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
CAS number
130396-70-2
Molecular formula
C22H30O6
InChIKey
VXFWYBMANDCLHW-KKLUHXGFSA-N
InChI
InChI=1S/C22H30O6/c1-10-17-12(24)8-14-21(5)7-6-16(28-11(2)23)20(3,4)13(21)9-15(25)22(14,18(10)26)19(17)27/h13-17,19,25,27H,1,6-9H2,2-5H3/t13-,14+,15-,16+,17-,19-,21-,22+/m1/s1
Canonical SMILES
C=C1C(=O)C23C(O)CC4C(C)(C)C(OC(C)=O)CCC4(C)C2CC(=O)C1C3O
Isomeric SMILES
CC(=O)O[C@H]1CC[C@@]2([C@@H](C1(C)C)C[C@H]([C@]34[C@H]2CC(=O)[C@H]([C@H]3O)C(=C)C4=O)O)C

Synonyms

  • ((1R,2R,4S,6S,9R,10S,13S,16R)-2,16-dihydroxy-5,5,9-trimethyl-14-methylidene-12,15-dioxo-6-tetracyclo(11.2.1.01,10.04,9)hexadecanyl) acetate
  • (1R,2R,4S,6S,9R,10S,13S,16S)-2,16-Dihydroxy-5,5,9-trimethyl-14-methylidene-12,15-dioxotetracyclo(11.2.1.0,.0,)hexadecan-6-yl acetic acid
  • (1R,2R,4S,6S,9R,10S,13S,16S)-2,16-Dihydroxy-5,5,9-trimethyl-14-methylidene-12,15-dioxotetracyclo[11.2.1.0,.0,]hexadecan-6-yl acetic acid
  • [(1R,2R,4S,6S,9R,10S,13S,16R)-2,16-dihydroxy-5,5,9-trimethyl-14-methylidene-12,15-dioxo-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate

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
390.48 g/molcalc.
Exact mass
390.2042 Dacalc.
LogP (octanol/water)
1.82calc.
Topological polar surface area
100.9 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
1calc.
Heavy atoms
28calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.77calc.
Formal charge
0calc.
Stereocentres
8calc.
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)C23CCC4CCCCC4C2CC(=O)C1C3

C=C1C(=O)C23CCC4CCCCC4C2CC(=O)C1C3

4 rings, 19 atoms.

2 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.

Pseurata C suppliers

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Pseurata C 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 Pseurata C is traded under.

HS 2915.39Indicative HS code

Esters of acetic acid, other

World exports in 2024
$2.03B
+7.9% vs 2023, imports $1.95B
2019 to 2024
Top exporters
  1. China58.0%
  2. United States7.3%
  3. Germany6.5%
Top importers
  1. Singapore15.6%
  2. South Korea7.2%
  3. Indonesia6.9%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Pseurata C?

Pseurata C has been reported in Isodon japonicus and Isodon pharicus.

What is the CAS number of Pseurata C?

The CAS registry number of Pseurata C is 130396-70-2.

What is the molecular formula and weight of Pseurata C?

The molecular formula of Pseurata C is C22H30O6 and its molar mass is 390.48 g/mol.

What is Pseurata C used for?

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

Is Pseurata C hazardous?

No GHS hazard classification for Pseurata 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 Pseurata C?

Pseurata C is usually classified under HS code 291539 (Esters of acetic acid, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Pseurata C?

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

What is the price of Pseurata C?

Suppliers quote Pseurata 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

Practical guides that help when you source, ship or handle Pseurata C

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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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