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Steroids and sterols

Bufotalin

Also known as Bufa-20,22-dienolide, 16-(acetyloxy)-3,14-dihydroxy-, (3beta,5beta,16beta)-, 3beta,14,16beta-Trihydroxy-5beta-bufa-20,22-dienolide 16-acetate, 3beta,14beta-dihydroxy-16beta-acetoxy-5beta-bufa-20,22-dienolide

CAS 471-95-4Formula C26H36O6Molar mass 444.57 g/molEC 881-300-6
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Bufotalin chemical structure, C26H36O6, CAS 471-95-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
471-95-4
Formula
C26H36O6
Molar mass
444.57 g/mol
EC number
881-300-6
HS code
293220
Category
Steroids and sterols

What is Bufotalin?

Plain description, key identifiers and synonyms

Bufotalin is a steroid lactone. It is functionally related to a bufanolide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3,14-dihydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
CAS number
471-95-4 CAS number cross-checked
EC number
881-300-6
Molecular formula
C26H36O6
UNII
EGL9670I6P
MDL number
MFCD00210248
InChIKey
VOZHMAYHYHEWBW-NVOOAVKYSA-N
InChI
InChI=1S/C26H36O6/c1-15(27)32-21-13-26(30)20-6-5-17-12-18(28)8-10-24(17,2)19(20)9-11-25(26,3)23(21)16-4-7-22(29)31-14-16/h4,7,14,17-21,23,28,30H,5-6,8-13H2,1-3H3/t17-,18+,19+,20-,21+,23+,24+,25-,26+/m1/s1
Canonical SMILES
CC(=O)OC1CC2(O)C3CCC4CC(O)CCC4(C)C3CCC2(C)C1c1ccc(=O)oc1
Isomeric SMILES
CC(=O)O[C@H]1C[C@@]2([C@@H]3CC[C@@H]4C[C@H](CC[C@@]4([C@H]3CC[C@@]2([C@H]1C5=COC(=O)C=C5)C)C)O)O

Synonyms

  • Bufa-20,22-dienolide, 16-(acetyloxy)-3,14-dihydroxy-, (3beta,5beta,16beta)-
  • 3beta,14,16beta-Trihydroxy-5beta-bufa-20,22-dienolide 16-acetate
  • 3beta,14beta-dihydroxy-16beta-acetoxy-5beta-bufa-20,22-dienolide
  • 3 beta-14,16 beta-trihydroxy-5 beta-bufa-20,22-dienolide
  • Bufotaline
  • ?-Bufotalin
  • ST 26:5, O6
  • (1R,2S,3aS,3bR,5aR,7S,9aS,9bS,11aR)-3a,7-dihydroxy-9a,11a-dimethyl-1-(2-oxo-2H-pyran-5-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-2-yl acetate
  • 3beta-14,16beta-Trihydroxy-5beta-bufa-20,22-dienolide
  • 16beta-(Acetyloxy)-3beta,14-dihydroxy-5beta-bufa-20,22-dienolide
  • 5beta-Bufa-20,22-dienolide, 3beta,14,16beta-trihydroxy-, 16-acetate
  • 5-beta-BUFA-20,22-DIENOLIDE, 3-beta,14,16-beta-TRIHYDROXY-, 16-ACETATE
  • (3S,5R,8R,9S,10S,13R,14S,16S,17R)-3,14-dihydroxy-10,13-dimethyl-17-(2-oxo-2H-pyran-5-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-16-yl acetate

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
444.57 g/molcalc.
Exact mass
444.2512 Dacalc.
LogP (octanol/water)
3.78calc.
Topological polar surface area
96.97 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
2calc.
Heavy atoms
32calc.
Rings
5calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.77calc.
Formal charge
0calc.
Stereocentres
9calc.
Lipinski rule of five
Passes (0 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, O=c1ccc(C2CCC3C2CCC2C4CCCCC4CCC23)co1

O=c1ccc(C2CCC3C2CCC2C4CCCCC4CCC23)co1

5 rings, 24 atoms.

43 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.

Bufotalin suppliers

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

All 3 suppliers

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

3 suppliers in 1 country

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Bufotalin 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

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

Frequently asked questions

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

What is Bufotalin?

Bufotalin is a steroid lactone. It is functionally related to a bufanolide.

What is the CAS number of Bufotalin?

The CAS registry number of Bufotalin is 471-95-4.

What is the molecular formula and weight of Bufotalin?

The molecular formula of Bufotalin is C26H36O6 and its molar mass is 444.57 g/mol.

Is Bufotalin hazardous?

No GHS hazard classification for Bufotalin 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 Bufotalin?

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

Where can I buy Bufotalin?

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

What is the price of Bufotalin?

Suppliers quote Bufotalin 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 Bufotalin

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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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