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Heterocyclic compounds

Chestanin

Also known as Chestanin A

CAS 68325-50-8Formula C40H42O26Molar mass 938.75 g/mol
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Chestanin chemical structure, C40H42O26, CAS 68325-50-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
68325-50-8
Formula
C40H42O26
Molar mass
938.75 g/mol
HS code
293299
Category
Heterocyclic compounds

What is Chestanin?

Plain description, key identifiers and synonyms

Chestanin has been reported in Castanea mollissima and Castanea crenata.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 2-[5-[[3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxycarbonyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoate
CAS number
68325-50-8 CAS number cross-checked
Molecular formula
C40H42O26
InChIKey
NSFIWSANZNJXLP-UHFFFAOYSA-N
InChI
InChI=1S/C40H42O26/c41-8-23-27(51)29(53)32(56)39(63-23)65-35-18(45)1-12(2-19(35)46)10-60-37(58)14-5-16(43)25(49)22(6-14)62-34-15(7-17(44)26(50)31(34)55)38(59)61-11-13-3-20(47)36(21(48)4-13)66-40-33(57)30(54)28(52)24(9-42)64-40/h1-7,23-24,27-30,32-33,39-57H,8-11H2
SMILES (canonical and isomeric)
C1=C(C=C(C(=C1O)OC2C(C(C(C(O2)CO)O)O)O)O)COC(=O)C3=CC(=C(C(=C3)OC4=C(C(=C(C=C4C(=O)OCC5=CC(=C(C(=C5)O)OC6C(C(C(C(O6)CO)O)O)O)O)O)O)O)O)O

Synonyms

  • Chestanin A

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
938.75 g/molcalc.
Exact mass
938.1964 Dacalc.
LogP (octanol/water)
-2.1calc.
Topological polar surface area
442.7 Ųcalc.
Hydrogen bond donors
17calc.
Hydrogen bond acceptors
26calc.
Rotatable bonds
14calc.
Heavy atoms
66calc.
Rings
6calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.35calc.
Formal charge
0calc.
Stereocentres
10calc.
Lipinski rule of five
Fails (3 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=C(OCc1ccc(OC2CCCCO2)cc1)c1cccc(Oc2ccccc2C(=O)OCc2ccc(OC3CCCCO3)cc2)c1

O=C(OCc1ccc(OC2CCCCO2)cc1)c1cccc(Oc2ccccc2C(=O)OCc2ccc(OC3CCCCO3)cc2)c1

6 rings, 47 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.

Chestanin suppliers

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Chestanin 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 Chestanin is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Chestanin?

Chestanin has been reported in Castanea mollissima and Castanea crenata.

What is the CAS number of Chestanin?

The CAS registry number of Chestanin is 68325-50-8.

What is the molecular formula and weight of Chestanin?

The molecular formula of Chestanin is C40H42O26 and its molar mass is 938.75 g/mol.

Is Chestanin hazardous?

No GHS hazard classification for Chestanin 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 Chestanin?

Chestanin is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Chestanin?

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What is the price of Chestanin?

Suppliers quote Chestanin 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 Chestanin

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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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