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Screening compounds

Parnapimarol

Also known as ((1R,4S,4aS,7S,8R,10aS)-8-acetyloxy-7-ethenyl-4-hydroxy-1,4a,7-trimethyl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthren-1-yl)methyl 2-methylbutanoate, [(1R,4S,4aS,7S,8R,10aS)-8-acetyloxy-7-ethenyl-4-hydroxy-1,4a,7-trimethyl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthren-1-yl]methyl 2-methylbutanoate

CAS 1013633-80-1Formula C27H42O5Molar mass 446.63 g/mol
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Parnapimarol chemical structure, C27H42O5, CAS 1013633-80-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1013633-80-1
Formula
C27H42O5
Molar mass
446.63 g/mol
HS code
291560
Category
Screening compounds

What is Parnapimarol?

Plain description, key identifiers and synonyms

Parnapimarol is a chemical substance with the molecular formula C27H42O5 and a molar mass of 446.63 g/mol. Its CAS registry number is 1013633-80-1. The IUPAC name is [(1R,4S,4aS,7S,8R,10aS)-8-acetyloxy-7-ethenyl-4-hydroxy-1,4a,7-trimethyl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthren-1-yl]methyl 2-methylbutanoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1R,4S,4aS,7S,8R,10aS)-8-acetyloxy-7-ethenyl-4-hydroxy-1,4a,7-trimethyl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthren-1-yl]methyl 2-methylbutanoate
CAS number
1013633-80-1
Molecular formula
C27H42O5
InChIKey
QKFZOHYVWBVZEU-MJSBBHSZSA-N
InChI
InChI=1S/C27H42O5/c1-8-17(3)24(30)31-16-26(6)15-13-22(29)27(7)20-12-14-25(5,9-2)23(32-18(4)28)19(20)10-11-21(26)27/h9,17,21-23,29H,2,8,10-16H2,1,3-7H3/t17?,21-,22-,23-,25+,26-,27+/m0/s1
Canonical SMILES
C=CC1(C)CCC2=C(CCC3C(C)(COC(=O)C(C)CC)CCC(O)C23C)C1OC(C)=O
Isomeric SMILES
CCC(C)C(=O)OC[C@@]1(CC[C@@H]([C@]2([C@H]1CCC3=C2CC[C@@]([C@H]3OC(=O)C)(C)C=C)C)O)C

Synonyms

  • ((1R,4S,4aS,7S,8R,10aS)-8-acetyloxy-7-ethenyl-4-hydroxy-1,4a,7-trimethyl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthren-1-yl)methyl 2-methylbutanoate
  • [(1R,4S,4aS,7S,8R,10aS)-8-acetyloxy-7-ethenyl-4-hydroxy-1,4a,7-trimethyl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthren-1-yl]methyl 2-methylbutanoate

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
446.63 g/molcalc.
Exact mass
446.3032 Dacalc.
LogP (octanol/water)
5.37calc.
Topological polar surface area
72.83 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
6calc.
Heavy atoms
32calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.78calc.
Formal charge
0calc.
Stereocentres
7calc.
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, C1CCC2=C(C1)CCC1CCCCC21

C1CCC2=C(C1)CCC1CCCCC21

3 rings, 14 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.

Parnapimarol suppliers

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Parnapimarol 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 Parnapimarol is traded under.

HS 2915.60Indicative HS code

Butanoic acids, pentanoic acids, their salts and esters

World exports in 2024
$704M
+7.9% vs 2023, imports $679M
2019 to 2024
Top exporters
  1. China24.0%
  2. United States23.0%
  3. Netherlands9.3%
Top importers
  1. India * partner reported9.8%
  2. United States9.7%
  3. Netherlands7.4%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Parnapimarol?

Parnapimarol is a chemical substance with the molecular formula C27H42O5 and a molar mass of 446.63 g/mol. Its CAS registry number is 1013633-80-1. The IUPAC name is [(1R,4S,4aS,7S,8R,10aS)-8-acetyloxy-7-ethenyl-4-hydroxy-1,4a,7-trimethyl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthren-1-yl]methyl 2-methylbutanoate.

What is the CAS number of Parnapimarol?

The CAS registry number of Parnapimarol is 1013633-80-1.

What is the molecular formula and weight of Parnapimarol?

The molecular formula of Parnapimarol is C27H42O5 and its molar mass is 446.63 g/mol.

What is Parnapimarol used for?

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

Is Parnapimarol hazardous?

No GHS hazard classification for Parnapimarol 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 Parnapimarol?

Parnapimarol is usually classified under HS code 291560 (Butanoic acids, pentanoic acids, their salts and esters). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Parnapimarol?

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

What is the price of Parnapimarol?

Suppliers quote Parnapimarol 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

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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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