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Steroids and sterols

Calotropin

Also known as Pecilocerin A, Pekilocerin A, Card-20(22)-enolide, 14-hydroxy-19-oxo-3,2-((tetrahydro-3,4-dihydroxy-6-methyl-2H-pyran-2,3-diyl)bis(oxy))-, (2alpha(2S,4S,6R),3beta,5alpha)-

CAS 1986-70-5Formula C29H40O9Molar mass 532.63 g/mol
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Calotropin chemical structure, C29H40O9, CAS 1986-70-5
2D chemical structure

Key facts

What buyers check first

All properties
Appearance
Rectangular platelets from alcohol or ethyl acetate
Melting point
223 °C
Solubility
SOL IN WATER, ALCOHOL, PRACTICALLY INSOL IN ETHER
HS code
293220
Category
Steroids and sterols

What is Calotropin?

Plain description, key identifiers and synonyms

Calotropin 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)-9,10,22-trihydroxy-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]pentacosane-14-carbaldehyde
CAS number
1986-70-5 CAS number cross-checked
Molecular formula
C29H40O9
UNII
3XK21U1BZS
InChIKey
OWPWFVVPBYFKBG-NYVHBPEFSA-N
InChI
InChI=1S/C29H40O9/c1-15-9-23(31)29(34)25(36-15)37-21-11-17-3-4-20-19(27(17,14-30)12-22(21)38-29)5-7-26(2)18(6-8-28(20,26)33)16-10-24(32)35-13-16/h10,14-15,17-23,25,31,33-34H,3-9,11-13H2,1-2H3/t15-,17+,18-,19+,20-,21-,22-,23+,25+,26-,27-,28+,29+/m1/s1
Canonical SMILES
CC1CC(O)C2(O)OC3CC4(C=O)C(CCC5C4CCC4(C)C(C6=CC(=O)OC6)CCC54O)CC3OC2O1
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)O

Synonyms

  • Pecilocerin A
  • Pekilocerin A
  • Card-20(22)-enolide, 14-hydroxy-19-oxo-3,2-((tetrahydro-3,4-dihydroxy-6-methyl-2H-pyran-2,3-diyl)bis(oxy))-, (2alpha(2S,4S,6R),3beta,5alpha)-
  • (2alpha,3beta,5.alpha.)-14-hydroxy-19-oxo-2,3-(((2S,3S,4S,6R)-tetrahydro-3,4-dihydroxy-6-methyl-2H-pyran-3,2-diyl)bis(oxy))card-20(22)-enolide
  • Card-20(22)-enolide, 14-hydroxy-19-oxo-2,3-(((2S,3S,4S,6R)-tetrahydro-3,4-dihydroxy-6-methyl-2H-pyran-3,2-diyl)bis(oxy))-, (2alpha,3beta,5.alpha.)-

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

Appearance
Rectangular platelets from alcohol or ethyl acetateexp.
Melting point
223 °Cexp.
Solubility
SOL IN WATER, ALCOHOL, PRACTICALLY INSOL IN ETHERexp.

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
532.63 g/molcalc.
Exact mass
532.2672 Dacalc.
LogP (octanol/water)
2calc.
Topological polar surface area
131.8 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
2calc.
Heavy atoms
38calc.
Rings
7calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.86calc.
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.

Calotropin suppliers

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

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Calotropin 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

How it is made

African arrow poison isolated from milk sap of calotropis procera dryand, asclepiadaceae. Isolation: lewin, arch exp path pharmakol 71, 142 (1913), hesse et al, ann 526, 252 (1936), 566, 130 (1950), rajagopalan et al, helv chim acta 38, 1809 (1955).

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

Frequently asked questions

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

What is Calotropin?

Calotropin is a cardenolide glycoside.

What is the CAS number of Calotropin?

The CAS registry number of Calotropin is 1986-70-5.

What is the molecular formula and weight of Calotropin?

The molecular formula of Calotropin is C29H40O9 and its molar mass is 532.63 g/mol.

Is Calotropin hazardous?

No GHS hazard classification for Calotropin 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 Calotropin?

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

Where can I buy Calotropin?

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What is the price of Calotropin?

Suppliers quote Calotropin 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 Calotropin

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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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