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Screening compounds

Npc219357

Also known as Arnicolide C, ArnicolideC, [(1S,3aR,5R,5aR,8aR,9S,9aR)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] 2-methylpropanoate

CAS 34532-67-7Formula C19H26O5Molar mass 334.41 g/mol
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Npc219357 chemical structure, C19H26O5, CAS 34532-67-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
34532-67-7
Formula
C19H26O5
Molar mass
334.41 g/mol
HS code
293220
Category
Screening compounds

What is Npc219357?

Plain description, key identifiers and synonyms

Arnicolide C has been reported in Arnica montana and Centipeda minima.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1S,3aR,5R,5aR,8aR,9S,9aR)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] 2-methylpropanoate
CAS number
34532-67-7
Molecular formula
C19H26O5
InChIKey
WKUOPGZYLRFCHJ-APDQSUQKSA-N
InChI
InChI=1S/C19H26O5/c1-9(2)17(21)24-16-15-11(4)18(22)23-13(15)8-10(3)12-6-7-14(20)19(12,16)5/h6-7,9-13,15-16H,8H2,1-5H3/t10-,11+,12+,13-,15-,16+,19+/m1/s1
Canonical SMILES
CC(C)C(=O)OC1C2C(CC(C)C3C=CC(=O)C31C)OC(=O)C2C
Isomeric SMILES
C[C@@H]1C[C@@H]2[C@@H]([C@@H](C(=O)O2)C)[C@@H]([C@]3([C@H]1C=CC3=O)C)OC(=O)C(C)C

Synonyms

  • Arnicolide C
  • ArnicolideC
  • [(1S,3aR,5R,5aR,8aR,9S,9aR)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] 2-methylpropanoate
  • (3S,3aR,4S,4aR,7aR,8R,9aR)-3,4a,8-Trimethyl-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl isobutyrate
  • Isobutyroylplenolin
  • (3aR)-4,4a,7aalpha,8,9,9aalpha-Hexahydro-4alpha-(isobutyryloxy)-3beta,4abeta,8alpha-trimethylazuleno[6,5-b]furan-2,5(3H,3aalphaH)-dione
  • 2-Methylpropionic acid [(3S)-2,3,3aalpha,4,4a,5,7aalpha,8,9,9aalpha-decahydro-3beta,4abeta,8alpha-trimethyl-2,5-dioxoazuleno[6,5-b]furan-4alpha-yl] ester
  • 6-O-Isobutyryl-11alpha,13-dihydrohelenalin
  • (3aR)-4,4a,7a|A,8,9,9a|A-Hexahydro-4|A-(isobutyryloxy)-3|A,4a|A,8|A-trimethylazuleno[6,5-b]furan-2,5(3H,3a|AH)-dione
  • Propanoic acid, 2-methyl-, (3S,3aR,4S,4aR,7aR,8R,9aR)-2,3,3a,4,4a,5,7a,8,9,9a-decahydro-3,4a,8-trimethyl-2,5-dioxoazuleno[6,5-b]furan-4-yl ester

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
334.41 g/molcalc.
Exact mass
334.178 Dacalc.
LogP (octanol/water)
2.53calc.
Topological polar surface area
69.67 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
2calc.
Heavy atoms
24calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.74calc.
Formal charge
0calc.
Stereocentres
7calc.
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, O=C1CC2CC3C(=O)C=CC3CCC2O1

O=C1CC2CC3C(=O)C=CC3CCC2O1

3 rings, 15 atoms.

16 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.

Npc219357 suppliers

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All 2 suppliers

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Where suppliers are based

2 suppliers in 2 countries

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Npc219357 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 Npc219357 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 Npc219357 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Npc219357, based on the data on this page

What is Npc219357?

Arnicolide C has been reported in Arnica montana and Centipeda minima.

What is the CAS number of Npc219357?

The CAS registry number of Npc219357 is 34532-67-7.

What is the molecular formula and weight of Npc219357?

The molecular formula of Npc219357 is C19H26O5 and its molar mass is 334.41 g/mol.

What is Npc219357 used for?

Known uses and roles of Npc219357 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Npc219357 hazardous?

No GHS hazard classification for Npc219357 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 Npc219357?

Npc219357 is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Npc219357?

CompoundList lists 2 suppliers of Npc219357 in China and France. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Npc219357?

Suppliers quote Npc219357 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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