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Glycosides and other natural products

beta-Escin

Formula C55H86O24Molar mass 1,131.27 g/molEC 600-985-2
GHS signal word: Warning. Pictograms: Harmful or irritant, Hazardous to the environment
Get quotes Safety data
beta-Escin chemical structure, C55H86O24
2D chemical structure

Key facts

What buyers check first

All properties
Formula
C55H86O24
Molar mass
1,131.27 g/mol
EC number
600-985-2
HS code
293890
Category
Glycosides and other natural products

What is beta-Escin?

Plain description, key identifiers and synonyms

beta-Escin has been reported in Aesculus hippocastanum.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
6-[[(3S,4S,6aR,6bR,8R,8aR,9R,10R,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid
EC number
600-985-2
Molecular formula
C55H86O24
InChIKey
AXNVHPCVMSNXNP-JVVFDPJCSA-N
InChI
InChI=1S/C55H86O24/c1-10-23(2)46(71)79-43-44(72-24(3)60)55(22-59)26(17-50(43,4)5)25-11-12-30-51(6)15-14-32(52(7,21-58)29(51)13-16-53(30,8)54(25,9)18-31(55)61)75-49-41(77-48-38(67)36(65)34(63)28(20-57)74-48)39(68)40(42(78-49)45(69)70)76-47-37(66)35(64)33(62)27(19-56)73-47/h10-11,26-44,47-49,56-59,61-68H,12-22H2,1-9H3,(H,69,70)/b23-10+/t26?,27?,28?,29?,30?,31-,32+,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43+,44+,47?,48?,49?,51+,52-,53-,54+,55+/m1/s1
Canonical SMILES
CC=C(C)C(=O)OC1C(OC(C)=O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2CC1(C)C
Isomeric SMILES
C/C=C(\C)/C(=O)O[C@H]1[C@@H]([C@@]2([C@@H](C[C@]3(C(=CCC4[C@]3(CCC5[C@@]4(CC[C@@H]([C@]5(C)CO)OC6C(C(C(C(O6)C(=O)O)OC7C(C(C(C(O7)CO)O)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C)C2CC1(C)C)C)O)CO)OC(=O)C

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
1,131.27 g/molcalc.
Exact mass
1,130.5509 Dacalc.
LogP (octanol/water)
-1.32calc.
Topological polar surface area
388 Ųcalc.
Hydrogen bond donors
13calc.
Hydrogen bond acceptors
23calc.
Rotatable bonds
14calc.
Heavy atoms
79calc.
Rings
8calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.87calc.
Formal charge
0calc.
Stereocentres
27calc.
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, C1=C2C3CCCCC3CCC2C2CCC3CC(OC4OCC(OC5CCCCO5)CC4OC4CCCCO4)CCC3C2C1

C1=C2C3CCCCC3CCC2C2CCC3CC(OC4OCC(OC5CCCCO5)CC4OC4CCCCO4)CCC3C2C1

8 rings, 43 atoms.

36 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
GHS09: Hazardous to the environment
Hazardous to the environment

Hazard statements

  • H302Harmful if swallowed.
  • H319Causes serious eye irritation.
  • H332Harmful if inhaled.
  • H335May cause respiratory irritation.
  • H411Toxic to aquatic life with long lasting effects.
Precautionary statements (18)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P273Avoid release to the environment.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P317Get medical help.
  • P319Get medical help if you feel unwell.
  • P330Rinse mouth.
  • P337 + P317If eye irritation persists: Get medical help.
  • P391Collect spillage.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • 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

beta-Escin suppliers

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

Frequently asked questions

Quick answers about beta-Escin, based on the data on this page

What is beta-Escin?

beta-Escin has been reported in Aesculus hippocastanum.

What is the molecular formula and weight of beta-Escin?

The molecular formula of beta-Escin is C55H86O24 and its molar mass is 1,131.27 g/mol.

Is beta-Escin hazardous?

beta-Escin carries the GHS signal word "Warning". Main hazards: harmful if swallowed, causes serious eye irritation, harmful if inhaled. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of beta-Escin?

beta-Escin 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 beta-Escin?

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What is the price of beta-Escin?

Suppliers quote beta-Escin 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 beta-Escin

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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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