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Screening compounds

Pteroidine

Also known as Pteroidin, 4-Chloro-6-hydroxy-1,8a,12-trimethyl-5-methylidene-2-oxotetradecahydro-3aH-6,13a-epoxybenzo[4,5]cyclodeca[1,2-b]furan-8,9,11,13-tetrayl tetraacetate

CAS 90042-99-2Formula C28H37ClO12Molar mass 601.05 g/mol
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Pteroidine chemical structure, C28H37ClO12, CAS 90042-99-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
90042-99-2
Formula
C28H37ClO12
Molar mass
601.05 g/mol
HS code
293220
Category
Screening compounds

What is Pteroidine?

Plain description, key identifiers and synonyms

Pteroidine is a chemical substance with the molecular formula C28H37ClO12 and a molar mass of 601.05 g/mol. Its CAS registry number is 90042-99-2. The IUPAC name is [(2S,3S,4R,5R,7S,8R,9S,11S,13S,14R,17R)-2,7,9-triacetyloxy-13-chloro-11-hydroxy-4,8,17-trimethyl-12-methylidene-16-oxo-15,18-dioxatetracyclo[9.6.1.01,14.03,8]octadecan-5-yl] acetate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(2S,3S,4R,5R,7S,8R,9S,11S,13S,14R,17R)-2,7,9-triacetyloxy-13-chloro-11-hydroxy-4,8,17-trimethyl-12-methylidene-16-oxo-15,18-dioxatetracyclo[9.6.1.01,14.03,8]octadecan-5-yl] acetate
CAS number
90042-99-2 CAS number cross-checked
Molecular formula
C28H37ClO12
InChIKey
BAKGCTQQJJBYLU-XAIGFXQASA-N
InChI
InChI=1S/C28H37ClO12/c1-11-18(36-14(4)30)9-19(37-15(5)31)26(8)20(38-16(6)32)10-27(35)12(2)22(29)24-28(41-27,13(3)25(34)40-24)23(21(11)26)39-17(7)33/h11,13,18-24,35H,2,9-10H2,1,3-8H3/t11-,13-,18+,19-,20-,21+,22-,23-,24-,26+,27-,28?/m0/s1
Canonical SMILES
C=C1C(Cl)C2OC(=O)C(C)C23OC1(O)CC(OC(C)=O)C1(C)C(OC(C)=O)CC(OC(C)=O)C(C)C1C3OC(C)=O
Isomeric SMILES
C[C@H]1[C@@H](C[C@@H]([C@]2([C@H]1[C@@H](C34[C@H](C(=O)O[C@H]3[C@H](C(=C)[C@@](O4)(C[C@@H]2OC(=O)C)O)Cl)C)OC(=O)C)C)OC(=O)C)OC(=O)C

Synonyms

  • Pteroidin
  • 4-Chloro-6-hydroxy-1,8a,12-trimethyl-5-methylidene-2-oxotetradecahydro-3aH-6,13a-epoxybenzo[4,5]cyclodeca[1,2-b]furan-8,9,11,13-tetrayl tetraacetate

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
601.05 g/molcalc.
Exact mass
600.1974 Dacalc.
LogP (octanol/water)
1.96calc.
Topological polar surface area
161 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
12calc.
Rotatable bonds
4calc.
Heavy atoms
41calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.75calc.
Formal charge
0calc.
Stereocentres
12calc.
Lipinski rule of five
Fails (2 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=C1CC2OC(=O)CC23CC2CCCCC2CCC1O3

C=C1CC2OC(=O)CC23CC2CCCCC2CCC1O3

4 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.

Pteroidine suppliers

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

Frequently asked questions

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

What is Pteroidine?

Pteroidine is a chemical substance with the molecular formula C28H37ClO12 and a molar mass of 601.05 g/mol. Its CAS registry number is 90042-99-2.

What is the CAS number of Pteroidine?

The CAS registry number of Pteroidine is 90042-99-2.

What is the molecular formula and weight of Pteroidine?

The molecular formula of Pteroidine is C28H37ClO12 and its molar mass is 601.05 g/mol.

What is Pteroidine used for?

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

Is Pteroidine hazardous?

No GHS hazard classification for Pteroidine 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 Pteroidine?

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

Where can I buy Pteroidine?

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

What is the price of Pteroidine?

Suppliers quote Pteroidine 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 Pteroidine

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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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