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Screening compounds

Paniculatumoside A

CAS 655231-90-6Formula C28H40O9Molar mass 520.62 g/mol
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Paniculatumoside A chemical structure, C28H40O9, CAS 655231-90-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
655231-90-6
Formula
C28H40O9
Molar mass
520.62 g/mol
HS code
293220
Category
Screening compounds

What is Paniculatumoside A?

Plain description, key identifiers and synonyms

Paniculatumoside A is a chemical substance with the molecular formula C28H40O9 and a molar mass of 520.62 g/mol. Its CAS registry number is 655231-90-6. The IUPAC name is (1E,4S,5R,8S,13R,16S,19R,21S,22R)-21-hydroxy-8-[(2R,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1,10-dien-14-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1E,4S,5R,8S,13R,16S,19R,21S,22R)-21-hydroxy-8-[(2R,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1,10-dien-14-one
CAS number
655231-90-6
Molecular formula
C28H40O9
InChIKey
RIZURMSYPNFAAV-GSCZNSFOSA-N
InChI
InChI=1S/C28H40O9/c1-14-24(29)20(32-4)12-22(34-14)35-16-9-10-27(2)15(11-16)5-6-17-19(27)8-7-18-23-21(36-25(17)30)13-33-28(23,3)37-26(18)31/h5,7,14,16-17,19-24,26,29,31H,6,8-13H2,1-4H3/b18-7+/t14-,16+,17-,19+,20-,21-,22+,23-,24-,26+,27+,28-/m1/s1
Canonical SMILES
COC1CC(OC2CCC3(C)C(=CCC4C(=O)OC5COC6(C)OC(O)C(=CCC43)C56)C2)OC(C)C1O
Isomeric SMILES
C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O[C@H]2CC[C@@]3([C@H]4C/C=C/5\[C@@H]6[C@@H](CO[C@@]6(O[C@@H]5O)C)OC(=O)[C@@H]4CC=C3C2)C)OC)O

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
520.62 g/molcalc.
Exact mass
520.2672 Dacalc.
LogP (octanol/water)
2.59calc.
Topological polar surface area
112.9 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
3calc.
Heavy atoms
37calc.
Rings
6calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.82calc.
Formal charge
0calc.
Stereocentres
12calc.
Lipinski rule of five
Passes (1 violation)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, O=C1OC2COC3OCC(=CCC4C1CC=C1CC(OC5CCCCO5)CCC14)C23

O=C1OC2COC3OCC(=CCC4C1CC=C1CC(OC5CCCCO5)CCC14)C23

6 rings, 30 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.

Paniculatumoside A suppliers

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

Frequently asked questions

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

What is Paniculatumoside A?

Paniculatumoside A is a chemical substance with the molecular formula C28H40O9 and a molar mass of 520.62 g/mol. Its CAS registry number is 655231-90-6.

What is the CAS number of Paniculatumoside A?

The CAS registry number of Paniculatumoside A is 655231-90-6.

What is the molecular formula and weight of Paniculatumoside A?

The molecular formula of Paniculatumoside A is C28H40O9 and its molar mass is 520.62 g/mol.

What is Paniculatumoside A used for?

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

Is Paniculatumoside A hazardous?

No GHS hazard classification for Paniculatumoside 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 Paniculatumoside A?

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

Where can I buy Paniculatumoside A?

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

What is the price of Paniculatumoside A?

Suppliers quote Paniculatumoside 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 Paniculatumoside 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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