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Screening compounds

Ptilosarcone

Also known as (-)-Ptilosarcone

CAS 64597-86-0Formula C28H37ClO10Molar mass 569.05 g/mol
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Ptilosarcone chemical structure, C28H37ClO10, CAS 64597-86-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
64597-86-0
Formula
C28H37ClO10
Molar mass
569.05 g/mol
HS code
293220
Category
Screening compounds

What is Ptilosarcone?

Plain description, key identifiers and synonyms

Ptilosarcone is a chemical substance with the molecular formula C28H37ClO10 and a molar mass of 569.05 g/mol. Its CAS registry number is 64597-86-0. The IUPAC name is [(1S,2S,3R,4R,7R,8S,10Z,12S,13R,14S,17R)-2,12-diacetyloxy-8-chloro-3-hydroxy-4,13,17-trimethyl-9-methylidene-5,16-dioxo-6-oxatricyclo[11.4.0.03,7]heptadec-10-en-14-yl] butanoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1S,2S,3R,4R,7R,8S,10Z,12S,13R,14S,17R)-2,12-diacetyloxy-8-chloro-3-hydroxy-4,13,17-trimethyl-9-methylidene-5,16-dioxo-6-oxatricyclo[11.4.0.03,7]heptadec-10-en-14-yl] butanoate
CAS number
64597-86-0
Molecular formula
C28H37ClO10
InChIKey
HMDJRTOEGJOHTB-UUVKGRLKSA-N
InChI
InChI=1S/C28H37ClO10/c1-8-9-21(33)38-20-12-18(32)14(3)22-24(37-17(6)31)28(35)15(4)26(34)39-25(28)23(29)13(2)10-11-19(27(20,22)7)36-16(5)30/h10-11,14-15,19-20,22-25,35H,2,8-9,12H2,1,3-7H3/b11-10-/t14-,15-,19-,20-,22+,23-,24-,25-,27-,28+/m0/s1
Canonical SMILES
C=C1C=CC(OC(C)=O)C2(C)C(OC(=O)CCC)CC(=O)C(C)C2C(OC(C)=O)C2(O)C(C)C(=O)OC2C1Cl
Isomeric SMILES
CCCC(=O)O[C@H]1CC(=O)[C@@H]([C@H]2[C@]1([C@H](/C=C\C(=C)[C@@H]([C@H]3[C@]([C@H]2OC(=O)C)([C@H](C(=O)O3)C)O)Cl)OC(=O)C)C)C

Synonyms

  • (-)-Ptilosarcone

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
569.05 g/molcalc.
Exact mass
568.2075 Dacalc.
LogP (octanol/water)
2.82calc.
Topological polar surface area
142.5 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
5calc.
Heavy atoms
39calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.68calc.
Formal charge
0calc.
Stereocentres
10calc.
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=C1C=CCC2CCC(=O)CC2CC2CC(=O)OC2C1

C=C1C=CCC2CCC(=O)CC2CC2CC(=O)OC2C1

3 rings, 20 atoms.

No other chemical in our database has 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.

Ptilosarcone suppliers

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

Frequently asked questions

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

What is Ptilosarcone?

Ptilosarcone is a chemical substance with the molecular formula C28H37ClO10 and a molar mass of 569.05 g/mol. Its CAS registry number is 64597-86-0.

What is the CAS number of Ptilosarcone?

The CAS registry number of Ptilosarcone is 64597-86-0.

What is the molecular formula and weight of Ptilosarcone?

The molecular formula of Ptilosarcone is C28H37ClO10 and its molar mass is 569.05 g/mol.

What is Ptilosarcone used for?

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

Is Ptilosarcone hazardous?

No GHS hazard classification for Ptilosarcone 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 Ptilosarcone?

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

Where can I buy Ptilosarcone?

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

What is the price of Ptilosarcone?

Suppliers quote Ptilosarcone 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 Ptilosarcone

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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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