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Screening compounds

Npc226958

Also known as (1R,3Z,5R,7S,11R,12R,13S,14S)-1,11,13-Trihydroxy-3,6,6,14-tetramethyl-10-methylidenetricyclo[10.3.0.05,7]pentadec-3-en-2-one, (1R,3Z,5R,7S,11R,12R,13S,14S)-1,11,13-trihydroxy-3,6,6,14-tetramethyl-10-methylene-tricyclo[10.3.0.05,7]pentadec-3-en-2-one, (1R,3Z,5R,7S,11R,12R,13S,14S)-1,11,13-trihydroxy-3,6,6,14-tetramethyl-10-methylidenetricyclo[10.3.0.0,5,7]pentadec-3-en-2-one

CAS 34420-19-4Formula C20H30O4Molar mass 334.46 g/mol
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Npc226958 chemical structure, C20H30O4, CAS 34420-19-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
34420-19-4
Formula
C20H30O4
Molar mass
334.46 g/mol
HS code
291440
Category
Screening compounds

What is Npc226958?

Plain description, key identifiers and synonyms

Npc226958 is a chemical substance with the molecular formula C20H30O4 and a molar mass of 334.46 g/mol. Its CAS registry number is 34420-19-4. The IUPAC name is (1R,3Z,5R,7S,11R,12R,13S,14S)-1,11,13-trihydroxy-3,6,6,14-tetramethyl-10-methylidenetricyclo[10.3.0.05,7]pentadec-3-en-2-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,3Z,5R,7S,11R,12R,13S,14S)-1,11,13-trihydroxy-3,6,6,14-tetramethyl-10-methylidenetricyclo[10.3.0.05,7]pentadec-3-en-2-one
CAS number
34420-19-4Other or deprecated CAS: 3085544-99-3
Molecular formula
C20H30O4
MDL number
MFCD09832867
InChIKey
SDBITTRHSROXCY-ZVOALYMASA-N
InChI
InChI=1S/C20H30O4/c1-10-6-7-13-14(19(13,4)5)8-11(2)18(23)20(24)9-12(3)17(22)15(20)16(10)21/h8,12-17,21-22,24H,1,6-7,9H2,2-5H3/b11-8-/t12-,13-,14+,15-,16-,17-,20+/m0/s1
Canonical SMILES
C=C1CCC2C(C=C(C)C(=O)C3(O)CC(C)C(O)C3C1O)C2(C)C
Isomeric SMILES
C[C@H]1C[C@]2([C@H]([C@H]1O)[C@H](C(=C)CC[C@H]3[C@H](C3(C)C)/C=C(\C2=O)/C)O)O

Synonyms

  • (1R,3Z,5R,7S,11R,12R,13S,14S)-1,11,13-Trihydroxy-3,6,6,14-tetramethyl-10-methylidenetricyclo[10.3.0.05,7]pentadec-3-en-2-one
  • (1R,3Z,5R,7S,11R,12R,13S,14S)-1,11,13-trihydroxy-3,6,6,14-tetramethyl-10-methylene-tricyclo[10.3.0.05,7]pentadec-3-en-2-one
  • (1R,3Z,5R,7S,11R,12R,13S,14S)-1,11,13-trihydroxy-3,6,6,14-tetramethyl-10-methylidenetricyclo[10.3.0.0,5,7]pentadec-3-en-2-one

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
334.46 g/molcalc.
Exact mass
334.2144 Dacalc.
LogP (octanol/water)
2.23calc.
Topological polar surface area
77.76 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
0calc.
Heavy atoms
24calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.75calc.
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, C=C1CCC2CC2C=CC(=O)C2CCCC2C1

C=C1CCC2CC2C=CC(=O)C2CCCC2C1

3 rings, 17 atoms.

17 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.

Npc226958 suppliers

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Npc226958 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 Npc226958 is traded under.

HS 2914.40Indicative HS code

Ketone-alcohols and ketone-aldehydes

World exports in 2024
$199M
+2.5% vs 2023, imports $247M
2019 to 2024
Top exporters
  1. China29.5%
  2. Germany14.4%
  3. Netherlands12.7%
Top importers
  1. United States37.2%
  2. Netherlands8.5%
  3. Germany6.4%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Npc226958 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Npc226958, based on the data on this page

What is Npc226958?

Npc226958 is a chemical substance with the molecular formula C20H30O4 and a molar mass of 334.46 g/mol. Its CAS registry number is 34420-19-4. The IUPAC name is (1R,3Z,5R,7S,11R,12R,13S,14S)-1,11,13-trihydroxy-3,6,6,14-tetramethyl-10-methylidenetricyclo[10.3.0.05,7]pentadec-3-en-2-one.

What is the CAS number of Npc226958?

The CAS registry number of Npc226958 is 34420-19-4. Other or deprecated CAS numbers: 3085544-99-3.

What is the molecular formula and weight of Npc226958?

The molecular formula of Npc226958 is C20H30O4 and its molar mass is 334.46 g/mol.

What is Npc226958 used for?

Known uses and roles of Npc226958 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Npc226958 hazardous?

No GHS hazard classification for Npc226958 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 Npc226958?

Npc226958 is usually classified under HS code 291440 (Ketone-alcohols and ketone-aldehydes). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Npc226958?

Post a free request on CompoundList and suppliers of Npc226958 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Npc226958?

Suppliers quote Npc226958 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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