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Impurities and reference standards

Actein

Also known as beta-D-Xylopyranoside, (3beta,12beta,16beta,23R,24R,25S,26S)-12-(acetyloxy)-16,23:23,26:24,25-triepoxy-26-hydroxy-9,19-cyclolanostan-3-yl, Shengmating, 26S-Actein

CAS 18642-44-9Formula C37H56O11Molar mass 676.84 g/molEC 606-083-5
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Actein chemical structure, C37H56O11, CAS 18642-44-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
18642-44-9
Formula
C37H56O11
Molar mass
676.84 g/mol
EC number
606-083-5
HS code
293890
Category
Impurities and reference standards

What is Actein?

Plain description, key identifiers and synonyms

Actein is a triterpenoid. It has a role as a metabolite.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1S,1'R,2S,3'R,4R,4'R,5R,5'R,6'R,10'S,12'S,13'S,16'R,18'S,21'R)-2-hydroxy-1,4',6',12',17',17'-hexamethyl-18'-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosane]-3'-yl] acetate
CAS number
18642-44-9 CAS number cross-checked
EC number
606-083-5
Molecular formula
C37H56O11
UNII
I14QO4LW9V
MDL number
MFCD25371991
InChIKey
NEWMWGLPJQHSSQ-PSDKAYTQSA-N
InChI
InChI=1S/C37H56O11/c1-17-12-37(29-34(7,47-29)30(42)48-37)46-20-13-32(5)22-9-8-21-31(3,4)23(45-28-27(41)26(40)19(39)15-43-28)10-11-35(21)16-36(22,35)14-24(44-18(2)38)33(32,6)25(17)20/h17,19-30,39-42H,8-16H2,1-7H3/t17-,19-,20+,21+,22+,23+,24-,25+,26+,27-,28+,29-,30+,32+,33-,34+,35-,36+,37-/m1/s1
Canonical SMILES
CC(=O)OC1CC23CC24CCC(OC2OCC(O)C(O)C2O)C(C)(C)C4CCC3C2(C)CC3OC4(CC(C)C3C12C)OC(O)C1(C)OC41
Isomeric SMILES
C[C@@H]1C[C@@]2([C@H]3[C@](O3)([C@H](O2)O)C)O[C@@H]4[C@H]1[C@]5([C@@H](C[C@@]67C[C@@]68CC[C@@H](C([C@@H]8CC[C@H]7[C@@]5(C4)C)(C)C)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)OC(=O)C)C

Synonyms

  • beta-D-Xylopyranoside, (3beta,12beta,16beta,23R,24R,25S,26S)-12-(acetyloxy)-16,23:23,26:24,25-triepoxy-26-hydroxy-9,19-cyclolanostan-3-yl
  • Shengmating
  • 26S-Actein
  • b-D-Xylopyranoside,(3b,12b,16b,23R,24R,25S,26S)-12-(acetyloxy)-16,23:23,26:24,25-triepoxy-26-hydroxy-9,19-cyclolanostan-3-yl
  • Actein, (-)-
  • ACon0_000183
  • ACon1_001879
  • 26S-Actein (constituent of black cohosh)
  • Actein, United States Pharmacopeia (USP) Reference Standard
  • beta-D-Xylopyranoside, (3beta,12beta)-12-(acetyloxy)-16,23:23,26:24,25-triepoxy-26-hydroxy-9,19-cycloanostan-3-yl

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
676.84 g/molcalc.
Exact mass
676.3823 Dacalc.
LogP (octanol/water)
3.03calc.
Topological polar surface area
156.7 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
11calc.
Rotatable bonds
3calc.
Heavy atoms
48calc.
Rings
9calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.97calc.
Formal charge
0calc.
Stereocentres
19calc.
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(OC2CCC34CC35CCC3C6CCC7(OCC8OC87)OC6CC3C5CCC4C2)OC1

C1CCC(OC2CCC34CC35CCC3C6CCC7(OCC8OC87)OC6CC3C5CCC4C2)OC1

9 rings, 34 atoms.

7 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.

Actein suppliers

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All 3 suppliers

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Where suppliers are based

3 suppliers in 2 countries

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Actein price

Indicative price range per kg from live supplier offers

No published prices right now

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Uses and applications

What the substance is used for, by industry and function

Roles

  • metabolite

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

Frequently asked questions

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

What is Actein?

Actein is a triterpenoid. It has a role as a metabolite.

What is the CAS number of Actein?

The CAS registry number of Actein is 18642-44-9.

What is the molecular formula and weight of Actein?

The molecular formula of Actein is C37H56O11 and its molar mass is 676.84 g/mol.

What is Actein used for?

Known uses and roles of Actein include cooling agents in flavors and fragrances and metabolite.

Is Actein hazardous?

No GHS hazard classification for Actein 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 Actein?

Actein 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 Actein?

CompoundList lists 3 suppliers of Actein in China and United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Actein?

Suppliers quote Actein 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 Actein

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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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