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Screening compounds

Paniculoside II

Also known as (4R,15R)-11beta,15-Dihydroxykaur-16-en-18-oic acid [beta-D-glucopyranosyl] ester, [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 11,15-dihydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate, 1-O-(11beta,15beta-Dihydroxy-18-oxo-5beta,8alpha,9beta,10alpha,13alpha-kaur-16-en-18-yl)-beta-D-glucopyranose

CAS 60129-64-8Formula C26H40O9Molar mass 496.60 g/mol
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Paniculoside II chemical structure, C26H40O9, CAS 60129-64-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
60129-64-8
Formula
C26H40O9
Molar mass
496.60 g/mol
HS code
293299
Category
Screening compounds

What is Paniculoside II?

Plain description, key identifiers and synonyms

(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1R,4S,5R,9R,10S,11S,13S,15R)-11,15-dihydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate has been reported in Adenostemma lavenia, Stevia ovata, and other organisms.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4S,5R,9R,10S,11S,13S,15R)-11,15-dihydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
CAS number
60129-64-8
Molecular formula
C26H40O9
InChIKey
OHCCJDCXGVSWSO-WWXRUBGDSA-N
InChI
InChI=1S/C26H40O9/c1-12-13-9-14(28)20-24(2)6-4-7-25(3,16(24)5-8-26(20,10-13)21(12)32)23(33)35-22-19(31)18(30)17(29)15(11-27)34-22/h13-22,27-32H,1,4-11H2,2-3H3/t13-,14+,15-,16+,17-,18+,19-,20+,21-,22+,24-,25-,26-/m1/s1
Canonical SMILES
C=C1C2CC(O)C3C4(C)CCCC(C)(C(=O)OC5OC(CO)C(O)C(O)C5O)C4CCC3(C2)C1O
Isomeric SMILES
C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2[C@H](C[C@H](C3)C(=C)[C@H]4O)O)(C)C(=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O

Synonyms

  • (4R,15R)-11beta,15-Dihydroxykaur-16-en-18-oic acid [beta-D-glucopyranosyl] ester
  • [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 11,15-dihydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
  • 1-O-(11beta,15beta-Dihydroxy-18-oxo-5beta,8alpha,9beta,10alpha,13alpha-kaur-16-en-18-yl)-beta-D-glucopyranose
  • Kaur-16-en-18-oic acid, 11,15-dihydroxy-, I(2)-D-glucopyranosyl ester, (4I+/-,11I(2),15I(2))-

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
496.60 g/molcalc.
Exact mass
496.2672 Dacalc.
LogP (octanol/water)
0.24calc.
Topological polar surface area
156.9 Ųcalc.
Hydrogen bond donors
6calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
3calc.
Heavy atoms
35calc.
Rings
5calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.89calc.
Formal charge
0calc.
Stereocentres
13calc.
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, C=C1CC23CCC4C(C(=O)OC5CCCCO5)CCCC4C2CCC1C3

C=C1CC23CCC4C(C(=O)OC5CCCCO5)CCCC4C2CCC1C3

5 rings, 26 atoms.

9 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.

Paniculoside II suppliers

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

Frequently asked questions

Quick answers about Paniculoside II, based on the data on this page

What is Paniculoside II?

(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1R,4S,5R,9R,10S,11S,13S,15R)-11,15-dihydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate has been reported in Adenostemma lavenia, Stevia ovata, and other organisms.

What is the CAS number of Paniculoside II?

The CAS registry number of Paniculoside II is 60129-64-8.

What is the molecular formula and weight of Paniculoside II?

The molecular formula of Paniculoside II is C26H40O9 and its molar mass is 496.60 g/mol.

What is Paniculoside II used for?

Known uses and roles of Paniculoside II include tackifiers in adhesives and sealants, building blocks in research and laboratory and screening compounds in research and laboratory.

Is Paniculoside II hazardous?

No GHS hazard classification for Paniculoside II 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 Paniculoside II?

Paniculoside II 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 Paniculoside II?

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What is the price of Paniculoside II?

Suppliers quote Paniculoside II on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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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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