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Carbohydrates and sugars

Jacein

Also known as 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6-dimethoxy-7-((2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-4-one, 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6-dimethoxy-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

CAS 35305-11-4Formula C24H26O13Molar mass 522.46 g/mol
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Jacein chemical structure, C24H26O13, CAS 35305-11-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
35305-11-4
Formula
C24H26O13
Molar mass
522.46 g/mol
HS code
294000
Category
Carbohydrates and sugars

What is Jacein?

Plain description, key identifiers and synonyms

jacein has been reported in Centaurea nigra, Tridax procumbens, and Bidens pilosa.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6-dimethoxy-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CAS number
35305-11-4
Molecular formula
C24H26O13
InChIKey
NYTZRFVFIRTFIX-NIZXRZDQSA-N
InChI
InChI=1S/C24H26O13/c1-32-11-6-9(4-5-10(11)26)21-23(34-3)18(29)15-12(35-21)7-13(22(33-2)17(15)28)36-24-20(31)19(30)16(27)14(8-25)37-24/h4-7,14,16,19-20,24-28,30-31H,8H2,1-3H3/t14?,16-,19+,20?,24-/m1/s1
Canonical SMILES
COc1cc(-c2oc3cc(OC4OC(CO)C(O)C(O)C4O)c(OC)c(O)c3c(=O)c2OC)ccc1O
Isomeric SMILES
COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)O[C@H]4C([C@H]([C@@H](C(O4)CO)O)O)O)OC)O)OC)O

Synonyms

  • 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6-dimethoxy-7-((2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-4-one
  • 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6-dimethoxy-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-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
522.46 g/molcalc.
Exact mass
522.1373 Dacalc.
LogP (octanol/water)
0.08calc.
Topological polar surface area
197.7 Ųcalc.
Hydrogen bond donors
6calc.
Hydrogen bond acceptors
13calc.
Rotatable bonds
7calc.
Heavy atoms
37calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.38calc.
Formal charge
0calc.
Stereocentres
5calc.
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=c1cc(-c2ccccc2)oc2cc(OC3CCCCO3)ccc12

O=c1cc(-c2ccccc2)oc2cc(OC3CCCCO3)ccc12

4 rings, 24 atoms.

144 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.

Jacein suppliers

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Jacein 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 Jacein is traded under.

HS 2940.00Indicative HS code

Sugar ethers, sugar acetals and sugar esters, and their salts, other than the products of heading 29.37…

World exports in 2024
$1.4B
−5.4% vs 2023, imports $1.42B
2019 to 2024
Top exporters
  1. Germany23.7%
  2. China20.6%
  3. United States11.5%
Top importers
  1. United States14.0%
  2. Japan7.4%
  3. Germany6.1%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Jacein?

jacein has been reported in Centaurea nigra, Tridax procumbens, and Bidens pilosa.

What is the CAS number of Jacein?

The CAS registry number of Jacein is 35305-11-4.

What is the molecular formula and weight of Jacein?

The molecular formula of Jacein is C24H26O13 and its molar mass is 522.46 g/mol.

Is Jacein hazardous?

No GHS hazard classification for Jacein 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 Jacein?

Jacein is usually classified under HS code 294000 (Sugars, chemically pure, other than sucrose, lactose, maltose, glucose and fructose…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Jacein?

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What is the price of Jacein?

Suppliers quote Jacein 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 Jacein

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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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