CompoundList
Sign in
Steroids and sterols

Abrusoside E

Also known as Abrusogenin-3-beta-D-glucuronopyranosyl)-(1-2)-beta-D-glucopyranoside, (22S,24Z)-3beta-(beta-D-glucopyranosyl-(1-2)-beta-D-glucuronopyranosyloxy)-26-oxo-22,26-epoxy-9beta,19-cyclolanost- 24-en-28-oic acid

CAS 125003-00-1Formula C42H62O16Molar mass 822.94 g/mol
Get quotes Safety data
Abrusoside E chemical structure, C42H62O16, CAS 125003-00-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
125003-00-1
Formula
C42H62O16
Molar mass
822.94 g/mol
HS code
293890
Category
Steroids and sterols

What is Abrusoside E?

Plain description, key identifiers and synonyms

Abrusoside E has been reported in Abrus precatorius.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S,3S,4S,5R,6R)-6-[[(1S,3R,6S,7S,8R,11S,12S,15R,16R)-7-carboxy-7,12,16-trimethyl-15-[(1S)-1-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
CAS number
125003-00-1
Molecular formula
C42H62O16
InChIKey
HMQKXUDOQSFWTG-YAQHSBSXSA-N
InChI
InChI=1S/C42H62O16/c1-18-6-7-21(54-34(18)51)19(2)20-10-12-39(4)23-8-9-24-40(5,37(52)53)25(11-13-41(24)17-42(23,41)15-14-38(20,39)3)56-36-32(29(47)28(46)31(57-36)33(49)50)58-35-30(48)27(45)26(44)22(16-43)55-35/h6,19-32,35-36,43-48H,7-17H2,1-5H3,(H,49,50)(H,52,53)/t19-,20+,21-,22+,23-,24-,25-,26+,27-,28-,29-,30+,31-,32+,35-,36+,38+,39-,40-,41+,42-/m0/s1
Canonical SMILES
CC1=CCC(C(C)C2CCC3(C)C4CCC5C(C)(C(=O)O)C(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)CCC56CC46CCC23C)OC1=O
Isomeric SMILES
CC1=CC[C@H](OC1=O)[C@@H](C)[C@H]2CC[C@@]3([C@@]2(CC[C@]45[C@H]3CC[C@@H]6[C@]4(C5)CC[C@@H]([C@@]6(C)C(=O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C

Synonyms

  • Abrusogenin-3-beta-D-glucuronopyranosyl)-(1-2)-beta-D-glucopyranoside
  • (22S,24Z)-3beta-(beta-D-glucopyranosyl-(1-2)-beta-D-glucuronopyranosyloxy)-26-oxo-22,26-epoxy-9beta,19-cyclolanost- 24-en-28-oic acid

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
822.94 g/molcalc.
Exact mass
822.4038 Dacalc.
LogP (octanol/water)
1.49calc.
Topological polar surface area
259.2 Ųcalc.
Hydrogen bond donors
8calc.
Hydrogen bond acceptors
14calc.
Rotatable bonds
9calc.
Heavy atoms
58calc.
Rings
8calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.88calc.
Formal charge
0calc.
Stereocentres
21calc.
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=CCC(CC2CCC3C2CCC24CC25CCC(OC2OCCCC2OC2CCCCO2)CC5CCC34)O1

O=C1C=CCC(CC2CCC3C2CCC24CC25CCC(OC2OCCCC2OC2CCCCO2)CC5CCC34)O1

8 rings, 40 atoms.

2 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.

Abrusoside E suppliers

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

No supplier listings yet

Post one free request and suppliers who make or trade Abrusoside E can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Abrusoside E price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

Uses and applications

What the substance is used for, by industry and function

Industries and functions

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

Frequently asked questions

Quick answers about Abrusoside E, based on the data on this page

What is Abrusoside E?

Abrusoside E has been reported in Abrus precatorius.

What is the CAS number of Abrusoside E?

The CAS registry number of Abrusoside E is 125003-00-1.

What is the molecular formula and weight of Abrusoside E?

The molecular formula of Abrusoside E is C42H62O16 and its molar mass is 822.94 g/mol.

What is Abrusoside E used for?

Known uses and roles of Abrusoside E include tackifiers in adhesives and sealants.

Is Abrusoside E hazardous?

No GHS hazard classification for Abrusoside E 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 Abrusoside E?

Abrusoside E 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 Abrusoside E?

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

What is the price of Abrusoside E?

Suppliers quote Abrusoside E 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 Abrusoside E

Get quotes for Abrusoside E

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Abrusoside E
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Abrusoside E with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/abrusoside-e-125003-00-1" title="Abrusoside E structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Steroids and sterols or HS code 293890

Price on request
Free quotes, contact stays private
Get quotes