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Glycosides and other natural products

Secoxyloganin

Also known as Secoxy-loganin, 2-[(2S,3R,4S)-3-ethenyl-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]acetic acid, (2S,3R,4S)-3-ethenyl-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-acetic acid

CAS 58822-47-2Formula C17H24O11Molar mass 404.37 g/mol
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Secoxyloganin chemical structure, C17H24O11, CAS 58822-47-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
58822-47-2
Formula
C17H24O11
Molar mass
404.37 g/mol
HS code
293890
Category
Glycosides and other natural products

What is Secoxyloganin?

Plain description, key identifiers and synonyms

Secoxyloganin is a secoiridoid glycoside that is [(2R,3R,4S)-2-hydroxy-5-(methoxycarbonyl)-3-vinyl-3,4-dihydro-2H-pyran-4-yl]acetic acid in which the anometric hydroxy group has been converted to the corresponding beta-D-glucoside. It has been isolated from several plant species and exhibits antioxidant and anti-allergic properties. It has a role as an antioxidant, an anti-allergic agent and a plant metabolite. It is a beta-D-glucoside, a methyl ester, a member of pyrans, a dicarboxylic acid monoester, a secoiridoid glycoside, an enoate ester and a monosaccharide derivative. It is a conjugate acid of a secoxyloganin(1-).

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[(2S,3R,4S)-3-ethenyl-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]acetic acid
CAS number
58822-47-2 CAS number cross-checked
Molecular formula
C17H24O11
UNII
65J8K23L9L
MDL number
MFCD20260822
InChIKey
MQLSOVRLZHTATK-PEYNGXJCSA-N
InChI
InChI=1S/C17H24O11/c1-3-7-8(4-11(19)20)9(15(24)25-2)6-26-16(7)28-17-14(23)13(22)12(21)10(5-18)27-17/h3,6-8,10,12-14,16-18,21-23H,1,4-5H2,2H3,(H,19,20)/t7-,8+,10-,12-,13+,14-,16+,17+/m1/s1
Canonical SMILES
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)O
Isomeric SMILES
COC(=O)C1=CO[C@H]([C@@H]([C@@H]1CC(=O)O)C=C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

Synonyms

  • Secoxy-loganin
  • 2-[(2S,3R,4S)-3-ethenyl-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]acetic acid
  • (2S,3R,4S)-3-ethenyl-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-acetic acid
  • 2-((2S,3R,4S)-3-ethenyl-5-methoxycarbonyl-2-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-3,4-dihydro-2H-pyran-4-yl)acetic acid
  • [(2S,3R,4S)-3-ethenyl-2-(beta-D-glucopyranosyloxy)-5-(methoxycarbonyl)-3,4-dihydro-2H-pyran-4-yl]acetic acid
  • Secologanoside 11-methyl ester
  • Secoxyloganin (Standard)
  • (2S-(2alpha,3beta,4beta))-3-Ethenyl-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-acetic acid
  • 2-[(2S,3R,4S)-3-ethenyl-5-(methoxycarbonyl)-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl]acetic acid
  • [3-Ethenyl-2-(hexopyranosyloxy)-5-(methoxycarbonyl)-3,4-dihydro-2H-pyran-4-yl]acetic acid
  • 2-[(2S,3R,4S)-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3-vinyl-3,4-dihydro-2H-pyran-4-yl]acetic acid
  • 2H-Pyran-4-acetic acid, 3-ethenyl-2-(beta-d-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-, (2S,3R,4S)-
  • 2H-Pyran-4-acetic acid, 3-ethenyl-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-, (2S-(2alpha,3beta,4beta))-

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
404.37 g/molcalc.
Exact mass
404.1319 Dacalc.
LogP (octanol/water)
-1.89calc.
Topological polar surface area
172.2 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
7calc.
Heavy atoms
28calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.65calc.
Formal charge
0calc.
Stereocentres
8calc.
Lipinski rule of five
Passes (0 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, C1=COC(OC2CCCCO2)CC1

C1=COC(OC2CCCCO2)CC1

2 rings, 13 atoms.

16 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.

Secoxyloganin suppliers

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Secoxyloganin price

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Uses and applications

What the substance is used for, by industry and function

Roles

  • anti-allergic agent
  • antioxidant
  • eukaryotic metabolite
  • metabolite
  • pharmaceutical
  • plant metabolite

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

Frequently asked questions

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

What is Secoxyloganin?

Secoxyloganin is a secoiridoid glycoside that is [(2R,3R,4S)-2-hydroxy-5-(methoxycarbonyl)-3-vinyl-3,4-dihydro-2H-pyran-4-yl]acetic acid in which the anometric hydroxy group has been converted to the corresponding beta-D-glucoside.

What is the CAS number of Secoxyloganin?

The CAS registry number of Secoxyloganin is 58822-47-2.

What is the molecular formula and weight of Secoxyloganin?

The molecular formula of Secoxyloganin is C17H24O11 and its molar mass is 404.37 g/mol.

What is Secoxyloganin used for?

Known uses and roles of Secoxyloganin include anti-allergic agent, antioxidant, eukaryotic metabolite, metabolite, pharmaceutical and 1 more.

Is Secoxyloganin hazardous?

No GHS hazard classification for Secoxyloganin 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 Secoxyloganin?

Secoxyloganin 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 Secoxyloganin?

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What is the price of Secoxyloganin?

Suppliers quote Secoxyloganin 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

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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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