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Chromatography and spectroscopy reagents

Primulaverin

Also known as Primulaveroside, Benzoic acid, 5-methoxy-2-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-, methyl ester, 2-Hydroxy-5-methoxy-methyl benzoate-2-primeveroside

CAS 154-61-0Formula C20H28O13Molar mass 476.43 g/molEC 690-852-5
GHS signal word: Warning. Pictograms: Harmful or irritant
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Primulaverin chemical structure, C20H28O13, CAS 154-61-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
154-61-0
Formula
C20H28O13
Molar mass
476.43 g/mol
EC number
690-852-5
HS code
294000
Category
Chromatography and spectroscopy reagents

What is Primulaverin?

Plain description, key identifiers and synonyms

Primulaverin is a chemical substance with the molecular formula C20H28O13 and a molar mass of 476.43 g/mol. Its CAS registry number is 154-61-0. The IUPAC name is methyl 5-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxybenzoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl 5-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxybenzoate
CAS number
154-61-0 CAS number cross-checked
EC number
690-852-5
Molecular formula
C20H28O13
UNII
0B99IC5K2E
MDL number
MFCD11111296
InChIKey
CDWVFJJMYKSVHM-HSMQXHTESA-N
InChI
InChI=1S/C20H28O13/c1-28-8-3-4-11(9(5-8)18(27)29-2)32-20-17(26)15(24)14(23)12(33-20)7-31-19-16(25)13(22)10(21)6-30-19/h3-5,10,12-17,19-26H,6-7H2,1-2H3/t10-,12-,13+,14-,15+,16-,17-,19+,20-/m1/s1
Canonical SMILES
COC(=O)c1cc(OC)ccc1OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O
Isomeric SMILES
COC1=CC(=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O)O)O)C(=O)OC

Synonyms

  • Primulaveroside
  • Benzoic acid, 5-methoxy-2-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-, methyl ester
  • 2-Hydroxy-5-methoxy-methyl benzoate-2-primeveroside
  • methyl 5-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxybenzoate
  • Primulaverin , HPLC Grade
  • Methyl 5-methoxy-2-[(6-O-pentopyranosylhexopyranosyl)oxy]benzoate
  • Methyl 5-methoxy-2-[(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]benzoate

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
476.43 g/molcalc.
Exact mass
476.153 Dacalc.
LogP (octanol/water)
-2.88calc.
Topological polar surface area
193.8 Ųcalc.
Hydrogen bond donors
6calc.
Hydrogen bond acceptors
13calc.
Rotatable bonds
7calc.
Heavy atoms
33calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.65calc.
Formal charge
0calc.
Stereocentres
9calc.
Lipinski rule of five
Fails (2 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, c1ccc(OC2CCCC(COC3CCCCO3)O2)cc1

c1ccc(OC2CCCC(COC3CCCCO3)O2)cc1

3 rings, 21 atoms.

63 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
Precautionary statements (5)
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P301 + P317If swallowed: Get medical help.
  • P330Rinse mouth.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Primulaverin suppliers

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

Frequently asked questions

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

What is Primulaverin?

Primulaverin is a chemical substance with the molecular formula C20H28O13 and a molar mass of 476.43 g/mol. Its CAS registry number is 154-61-0. The IUPAC name is methyl 5-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxybenzoate.

What is the CAS number of Primulaverin?

The CAS registry number of Primulaverin is 154-61-0.

What is the molecular formula and weight of Primulaverin?

The molecular formula of Primulaverin is C20H28O13 and its molar mass is 476.43 g/mol.

Is Primulaverin hazardous?

Primulaverin carries the GHS signal word "Warning". Main hazards: harmful if swallowed. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Primulaverin?

Primulaverin 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 Primulaverin?

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What is the price of Primulaverin?

Suppliers quote Primulaverin 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 Primulaverin

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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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