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Flavonoids and polyphenols

Isoporiolide

CAS 39262-31-2Formula C29H26O12Molar mass 566.52 g/mol
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Isoporiolide chemical structure, C29H26O12, CAS 39262-31-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
39262-31-2
Formula
C29H26O12
Molar mass
566.52 g/mol
HS code
293220
Category
Flavonoids and polyphenols

What is Isoporiolide?

Plain description, key identifiers and synonyms

Isoporiolide is a chemical substance with the molecular formula C29H26O12 and a molar mass of 566.52 g/mol. Its CAS registry number is 39262-31-2. The IUPAC name is (16S,19S)-5,16,17,18,23,31-hexahydroxy-22-methyl-13,20,27,30-tetraoxahexacyclo[19.5.3.12,6.17,11.115,19.024,28]dotriaconta-2(32),3,5,7(31),8,10,21(29),22,24(28)-nonaene-12,25-dione.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(16S,19S)-5,16,17,18,23,31-hexahydroxy-22-methyl-13,20,27,30-tetraoxahexacyclo[19.5.3.12,6.17,11.115,19.024,28]dotriaconta-2(32),3,5,7(31),8,10,21(29),22,24(28)-nonaene-12,25-dione
CAS number
39262-31-2
Molecular formula
C29H26O12
InChIKey
ZGRAFMJBVGBGRY-DFGJGPAFSA-N
InChI
InChI=1S/C29H26O12/c1-11-18-9-20-22(23(11)32)17(31)8-19(39-20)12-5-6-16(30)15(7-12)13-3-2-4-14(24(13)33)28(37)38-10-21-25(34)26(35)27(36)29(40-18)41-21/h2-7,9,19,21,25-27,29-30,32-36H,8,10H2,1H3/t19?,21?,25-,26?,27?,29-/m1/s1
Canonical SMILES
Cc1c2cc3c(c1O)C(=O)CC(O3)c1ccc(O)c(c1)-c1cccc(c1O)C(=O)OCC1OC(O2)C(O)C(O)C1O
Isomeric SMILES
CC1=C(C2=C3C=C1O[C@H]4C(C([C@@H](C(O4)COC(=O)C5=CC=CC(=C5O)C6=C(C=CC(=C6)C(O3)CC2=O)O)O)O)O)O

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
566.52 g/molcalc.
Exact mass
566.1424 Dacalc.
LogP (octanol/water)
1.84calc.
Topological polar surface area
192.4 Ųcalc.
Hydrogen bond donors
6calc.
Hydrogen bond acceptors
12calc.
Rotatable bonds
0calc.
Heavy atoms
41calc.
Rings
6calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.31calc.
Formal charge
0calc.
Stereocentres
6calc.
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=C1OCC2CCCC(Oc3ccc4c(c3)OC(CC4=O)c3cccc(c3)-c3cccc1c3)O2

O=C1OCC2CCCC(Oc3ccc4c(c3)OC(CC4=O)c3cccc(c3)-c3cccc1c3)O2

6 rings, 34 atoms.

1 other chemical 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.

Isoporiolide suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

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

Frequently asked questions

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

What is Isoporiolide?

Isoporiolide is a chemical substance with the molecular formula C29H26O12 and a molar mass of 566.52 g/mol. Its CAS registry number is 39262-31-2.

What is the CAS number of Isoporiolide?

The CAS registry number of Isoporiolide is 39262-31-2.

What is the molecular formula and weight of Isoporiolide?

The molecular formula of Isoporiolide is C29H26O12 and its molar mass is 566.52 g/mol.

Is Isoporiolide hazardous?

No GHS hazard classification for Isoporiolide 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 Isoporiolide?

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

Where can I buy Isoporiolide?

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

What is the price of Isoporiolide?

Suppliers quote Isoporiolide 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 Isoporiolide

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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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