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Glycosides and other natural products

alpha-Aescin

Also known as alpha-Aescusan, alpha-Reparil, BA 2672

CAS 66795-86-6Formula C55H86O24Molar mass 1,131.27 g/molEC 266-482-1
GHS signal word: Warning. Pictograms: Harmful or irritant 1 supplier listed
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alpha-Aescin chemical structure, C55H86O24, CAS 66795-86-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
66795-86-6
Formula
C55H86O24
Molar mass
1,131.27 g/mol
EC number
266-482-1
HS code
293890
Category
Glycosides and other natural products

What is alpha-Aescin?

Plain description, key identifiers and synonyms

alpha-Aescin is a chemical substance with the molecular formula C55H86O24 and a molar mass of 1,131.27 g/mol. Its CAS registry number is 66795-86-6. The IUPAC name is (2S,3S,4S,5R,6R)-6-[[(3R,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S,3S,4S,5R,6R)-6-[[(3R,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid
CAS number
66795-86-6
EC number
266-482-1
Molecular formula
C55H86O24
InChIKey
AXNVHPCVMSNXNP-FPFZDEADSA-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)/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-/m0/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
CC=C(C)C(=O)O[C@H]1[C@@H]([C@@]2([C@@H](C[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@H]([C@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)[C@@H]2CC1(C)C)C)O)CO)OC(=O)C

Synonyms

  • alpha-Aescusan
  • alpha-Reparil
  • BA 2672

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

Hazard statements

  • H302Harmful if swallowed.
  • H319Causes serious eye irritation.
  • H332Harmful if inhaled.
  • H335May cause respiratory irritation.
Precautionary statements (16)
  • 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.
  • 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.
  • 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

alpha-Aescin suppliers

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Where suppliers are based

1 supplier in 1 country

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

Frequently asked questions

Quick answers about alpha-Aescin, based on the data on this page

What is alpha-Aescin?

alpha-Aescin is a chemical substance with the molecular formula C55H86O24 and a molar mass of 1,131.27 g/mol. Its CAS registry number is 66795-86-6.

What is the CAS number of alpha-Aescin?

The CAS registry number of alpha-Aescin is 66795-86-6.

What is the molecular formula and weight of alpha-Aescin?

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

Is alpha-Aescin hazardous?

alpha-Aescin 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 alpha-Aescin?

alpha-Aescin 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 alpha-Aescin?

CompoundList lists 1 supplier of alpha-Aescin in Poland. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of alpha-Aescin?

Suppliers quote alpha-Aescin 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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