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Impurities and reference standards

Erb4JS2wqj

Also known as Ammonium Glycyrrhizate Impurity A [EP Impurity], (3beta,4beta,20beta)-20-Carboxy-23-hydroxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucopyranuronosyl-alpha-D-glucopyranosiduronic acid, 20-Carboxy-23-hydroxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucopyranuronosyl-alpha-D-glucopyranosiduronic acid, (3beta,4beta,20beta)-

CAS 215720-45-9Formula C42H62O17Molar mass 838.94 g/mol
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Erb4JS2wqj chemical structure, C42H62O17, CAS 215720-45-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
215720-45-9
Formula
C42H62O17
Molar mass
838.94 g/mol
HS code
293890
Category
Impurities and reference standards

What is Erb4JS2wqj?

Plain description, key identifiers and synonyms

Erb4JS2wqj is a chemical substance with the molecular formula C42H62O17 and a molar mass of 838.94 g/mol. Its CAS registry number is 215720-45-9. The IUPAC name is (2S,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4S,4aR,6aR,6bR,8aS,11S,12aR,14aR,14bS)-11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4S,4aR,6aR,6bR,8aS,11S,12aR,14aR,14bS)-11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CAS number
215720-45-9
Molecular formula
C42H62O17
UNII
ERB4JS2WQJ
InChIKey
WBQVRPYEEYUEBQ-TYGSXCDJSA-N
InChI
InChI=1S/C42H62O17/c1-37-11-12-38(2,36(54)55)16-19(37)18-15-20(44)31-39(3)9-8-22(40(4,17-43)21(39)7-10-42(31,6)41(18,5)14-13-37)56-35-30(26(48)25(47)29(58-35)33(52)53)59-34-27(49)23(45)24(46)28(57-34)32(50)51/h15,19,21-31,34-35,43,45-49H,7-14,16-17H2,1-6H3,(H,50,51)(H,52,53)(H,54,55)/t19-,21+,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34+,35-,37+,38-,39-,40+,41-,42+/m0/s1
Canonical SMILES
CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1
Isomeric SMILES
C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H]([C@]([C@@H]5CC[C@]4([C@]3(CC2)C)C)(C)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)C)(C)C(=O)O

Synonyms

  • Ammonium Glycyrrhizate Impurity A [EP Impurity]
  • (3beta,4beta,20beta)-20-Carboxy-23-hydroxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucopyranuronosyl-alpha-D-glucopyranosiduronic acid
  • 20-Carboxy-23-hydroxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucopyranuronosyl-alpha-D-glucopyranosiduronic acid, (3beta,4beta,20beta)-
  • alpha-D-Glucopyranosiduronic acid, (3beta,4beta,20beta)-20-carboxy-23-hydroxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucopyranuronosyl-

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
838.94 g/molcalc.
Exact mass
838.3987 Dacalc.
LogP (octanol/water)
1.22calc.
Topological polar surface area
287.3 Ųcalc.
Hydrogen bond donors
9calc.
Hydrogen bond acceptors
14calc.
Rotatable bonds
8calc.
Heavy atoms
59calc.
Rings
7calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.86calc.
Formal charge
0calc.
Stereocentres
20calc.
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=C1C=C2C3CCCCC3CCC2C2CCC3CC(OC4OCCCC4OC4CCCCO4)CCC3C12

O=C1C=C2C3CCCCC3CCC2C2CCC3CC(OC4OCCCC4OC4CCCCO4)CCC3C12

7 rings, 37 atoms.

73 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.

Erb4JS2wqj suppliers

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Erb4JS2wqj price

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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 Erb4JS2wqj 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 Erb4JS2wqj is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Erb4JS2wqj, based on the data on this page

What is Erb4JS2wqj?

Erb4JS2wqj is a chemical substance with the molecular formula C42H62O17 and a molar mass of 838.94 g/mol. Its CAS registry number is 215720-45-9.

What is the CAS number of Erb4JS2wqj?

The CAS registry number of Erb4JS2wqj is 215720-45-9.

What is the molecular formula and weight of Erb4JS2wqj?

The molecular formula of Erb4JS2wqj is C42H62O17 and its molar mass is 838.94 g/mol.

Is Erb4JS2wqj hazardous?

No GHS hazard classification for Erb4JS2wqj 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 Erb4JS2wqj?

Erb4JS2wqj 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 Erb4JS2wqj?

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What is the price of Erb4JS2wqj?

Suppliers quote Erb4JS2wqj 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 Erb4JS2wqj

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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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