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Flavonoids and polyphenols

Isospinosin

Also known as Isoswertisin 2''-O-glucoside, 2''-glucosylisoswertisin, 8-(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one

CAS 89701-83-7Formula C28H32O15Molar mass 608.55 g/mol
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Isospinosin chemical structure, C28H32O15, CAS 89701-83-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
89701-83-7
Formula
C28H32O15
Molar mass
608.55 g/mol
HS code
293890
Category
Flavonoids and polyphenols

What is Isospinosin?

Plain description, key identifiers and synonyms

Isospinosin has been reported in Ziziphus jujuba, Galipea trifoliata, and other organisms.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
8-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CAS number
89701-83-7
Molecular formula
C28H32O15
InChIKey
XSAFLFYGYGKUKQ-QGTQAJIUSA-N
InChI
InChI=1S/C28H32O15/c1-39-15-7-13(33)18-12(32)6-14(10-2-4-11(31)5-3-10)40-25(18)19(15)26-27(23(37)21(35)16(8-29)41-26)43-28-24(38)22(36)20(34)17(9-30)42-28/h2-7,16-17,20-24,26-31,33-38H,8-9H2,1H3/t16-,17-,20-,21-,22+,23+,24-,26+,27-,28+/m1/s1
Canonical SMILES
COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1C1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O
Isomeric SMILES
COC1=C(C2=C(C(=C1)O)C(=O)C=C(O2)C3=CC=C(C=C3)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O

Synonyms

  • Isoswertisin 2''-O-glucoside
  • 2''-glucosylisoswertisin
  • 8-(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-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
608.55 g/molcalc.
Exact mass
608.1741 Dacalc.
LogP (octanol/water)
-1.78calc.
Topological polar surface area
249.2 Ųcalc.
Hydrogen bond donors
9calc.
Hydrogen bond acceptors
15calc.
Rotatable bonds
7calc.
Heavy atoms
43calc.
Rings
5calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.46calc.
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=c1cc(-c2ccccc2)oc2c(C3OCCCC3OC3CCCCO3)cccc12

O=c1cc(-c2ccccc2)oc2c(C3OCCCC3OC3CCCCO3)cccc12

5 rings, 30 atoms.

24 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.

Isospinosin suppliers

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Isospinosin 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 Isospinosin is traded under.

HS 2938.90Indicative HS code

Natural or reproduced by synthesis, other than rutoside (rutin) and its derivatives

World exports in 2024
$1.4B
−8.3% vs 2023, imports $1.35B
2019 to 2024
Top exporters
  1. China49.2%
  2. France * partner reported8.9%
  3. Malaysia6.1%
Top importers
  1. United States22.3%
  2. India * partner reported7.8%
  3. Brazil5.5%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Isospinosin?

Isospinosin has been reported in Ziziphus jujuba, Galipea trifoliata, and other organisms.

What is the CAS number of Isospinosin?

The CAS registry number of Isospinosin is 89701-83-7.

What is the molecular formula and weight of Isospinosin?

The molecular formula of Isospinosin is C28H32O15 and its molar mass is 608.55 g/mol.

Is Isospinosin hazardous?

No GHS hazard classification for Isospinosin 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 Isospinosin?

Isospinosin is usually classified under HS code 293890 (Glycosides, natural or reproduced by synthesis, and their salts, ethers, esters and…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Isospinosin?

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What is the price of Isospinosin?

Suppliers quote Isospinosin 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 Isospinosin

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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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