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Steroids and sterols

Asclepin

Also known as Asclepiadin, 3'-O-Acetylcalotropin, (2 alpha,3 beta,5 alpha)-3-((3-O-acetyl-4,6-dideoxy-D-erythro-hexopyranos-2-ulos-1-yl)oxy) card-20(22)-enolide

CAS 36573-63-4Formula C31H42O10Molar mass 574.67 g/molEC 253-110-8
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Asclepin chemical structure, C31H42O10, CAS 36573-63-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
36573-63-4
Formula
C31H42O10
Molar mass
574.67 g/mol
EC number
253-110-8
HS code
293220
Category
Steroids and sterols

What is Asclepin?

Plain description, key identifiers and synonyms

Asclepin is a cardenolide glycoside.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1S,3R,5S,7R,9S,10S,12R,14R,15S,18R,19R,22S,23R)-14-formyl-10,22-dihydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosan-9-yl] acetate
CAS number
36573-63-4 CAS number cross-checked
EC number
253-110-8
Molecular formula
C31H42O10
UNII
JHW7L2SWU8
InChIKey
OXKMZIABKYHLAR-SVDYBJNLSA-N
InChI
InChI=1S/C31H42O10/c1-16-10-25(39-17(2)33)31(36)27(38-16)40-23-12-19-4-5-22-21(29(19,15-32)13-24(23)41-31)6-8-28(3)20(7-9-30(22,28)35)18-11-26(34)37-14-18/h11,15-16,19-25,27,35-36H,4-10,12-14H2,1-3H3/t16-,19+,20-,21+,22-,23-,24-,25+,27+,28-,29-,30+,31+/m1/s1
Canonical SMILES
CC(=O)OC1CC(C)OC2OC3CC4CCC5C(CCC6(C)C(C7=CC(=O)OC7)CCC56O)C4(C=O)CC3OC12O
Isomeric SMILES
C[C@@H]1C[C@@H]([C@]2([C@@H](O1)O[C@@H]3C[C@@H]4CC[C@@H]5[C@@H]([C@]4(C[C@H]3O2)C=O)CC[C@]6([C@@]5(CC[C@@H]6C7=CC(=O)OC7)O)C)O)OC(=O)C

Synonyms

  • Asclepiadin
  • 3'-O-Acetylcalotropin
  • (2 alpha,3 beta,5 alpha)-3-((3-O-acetyl-4,6-dideoxy-D-erythro-hexopyranos-2-ulos-1-yl)oxy) card-20(22)-enolide
  • Asclepin (Asclepiadin)
  • Calotropin, 3'-O-acetyl-
  • (2alpha(2S,3S,4S,6R),3beta,5alpha)-2,3-((4-Acetoxytetrahydro-3-hydroxy-6-methyl-2H-pyran-3,2-diyl)bis(oxy))-14-hydroxy-19-oxocard-20(22)-enolide
  • (2alpha,3beta,5alpha)-2,3-[[(2S,3S,4S,6R)-4-(Acetyloxy)tetrahydro-3-hydroxy-6-methyl-2H-pyran-3,2-diyl]bis(oxy)]-14-hydroxy-19-oxocard-20(22)-enolide
  • (2alpha,3beta,5alpha)-3-((3-O-Acetyl-4,6-dideoxy-D-erythro-hexopyranos-2-ulos-1-yl)oxy) card-20(22)-enolide
  • Card-20(22)-enolide, 2,3-[[(2S,3S,4S,6R)-4-(acetyloxy)tetrahydro-3-hydroxy-6-methyl-2H-pyran-3,2-diyl]bis(oxy)]-14-hydroxy-19-oxo-, (2alpha,3beta,5alpha)-
  • Card-20(22)-enolide, 2,3-[[4-(acetyloxy)tetrahydro-3-hydroxy-6-methyl-2H-pyran-3,2-diyl]bis(oxy)]-14-hydroxy-19-oxo-, [2alpha(2S,3S,4S,6R),3beta,5alpha]-

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
574.67 g/molcalc.
Exact mass
574.2778 Dacalc.
LogP (octanol/water)
2.57calc.
Topological polar surface area
137.8 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
3calc.
Heavy atoms
41calc.
Rings
7calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.84calc.
Formal charge
0calc.
Stereocentres
13calc.
Lipinski rule of five
Passes (1 violation)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=C(C2CCC3C2CCC2C4CC5OC6CCCOC6OC5CC4CCC23)CO1

O=C1C=C(C2CCC3C2CCC2C4CC5OC6CCCOC6OC5CC4CCC23)CO1

7 rings, 31 atoms.

11 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.

Asclepin suppliers

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Asclepin 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 Asclepin is traded under.

HS 2932.20Indicative HS code

Lactones

World exports in 2024
$1.97B
−4.7% vs 2023, imports $2.07B
2019 to 2024
Top exporters
  1. China56.3%
  2. India * partner reported7.4%
  3. Germany7.3%
Top importers
  1. United States14.2%
  2. India * partner reported13.5%
  3. Brazil8.5%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Asclepin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Asclepin?

Asclepin is a cardenolide glycoside.

What is the CAS number of Asclepin?

The CAS registry number of Asclepin is 36573-63-4.

What is the molecular formula and weight of Asclepin?

The molecular formula of Asclepin is C31H42O10 and its molar mass is 574.67 g/mol.

Is Asclepin hazardous?

No GHS hazard classification for Asclepin 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 Asclepin?

Asclepin is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Asclepin?

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What is the price of Asclepin?

Suppliers quote Asclepin 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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