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Steroids and sterols

Hellebrigenin

Also known as Bufotalidin, Gellebrigenin, 3beta,5,14-trihydroxy-19-oxo-5beta-bufa-20,22-dienolide

CAS 465-90-7Formula C24H32O6Molar mass 416.51 g/molEC 207-368-3
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Hellebrigenin chemical structure, C24H32O6, CAS 465-90-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
465-90-7
Formula
C24H32O6
Molar mass
416.51 g/mol
EC number
207-368-3
HS code
293220
Category
Steroids and sterols

What is Hellebrigenin?

Plain description, key identifiers and synonyms

Hellebrigenin is a steroid aldehyde, a steroid lactone, a 3beta-hydroxy steroid, a 14beta-hydroxy steroid, a 19-oxo steroid and a 5beta-hydroxy steroid. It has a role as an autophagy inducer, an antineoplastic agent, an apoptosis inducer, an antileishmanial agent, an animal metabolite and a plant metabolite. It is functionally related to a 5beta-bufanolide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3S,5S,8R,9S,10S,13R,14S,17R)-3,5,14-trihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
CAS number
465-90-7 CAS number cross-checked
EC number
207-368-3
Molecular formula
C24H32O6
UNII
AZ9QR9YH6T
InChIKey
TVKPTWJPKVSGJB-XHCIOXAKSA-N
InChI
InChI=1S/C24H32O6/c1-21-8-5-18-19(6-10-23(28)12-16(26)4-9-22(18,23)14-25)24(21,29)11-7-17(21)15-2-3-20(27)30-13-15/h2-3,13-14,16-19,26,28-29H,4-12H2,1H3/t16-,17+,18-,19+,21+,22-,23-,24-/m0/s1
Canonical SMILES
CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2c1ccc(=O)oc1
Isomeric SMILES
C[C@]12CC[C@H]3[C@H]([C@]1(CC[C@@H]2C4=COC(=O)C=C4)O)CC[C@]5([C@@]3(CC[C@@H](C5)O)C=O)O

Synonyms

  • Bufotalidin
  • Gellebrigenin
  • 3beta,5,14-trihydroxy-19-oxo-5beta-bufa-20,22-dienolide
  • (3beta,5beta)-3,5,14-Trihydroxy-19-oxobufa-20,22-dienolide
  • 5-beta-BUFA-20,22-DIENOLIDE, 3-beta,5,14-TRIHYDROXY-19-OXO-
  • Bufa-20,22-dienolide, 3,5,14-trihydroxy-19-oxo-, (3beta,5beta)-
  • Bufa-20,22-dienolide,3,5,14-trihydroxy-19-oxo-,(3beta,5beta)-
  • Bufotalidin, Gellebrigenin
  • 5-18-05-00180 (Beilstein Handbook Reference)
  • 19-Oxo-3-beta,5,14-trihydroxy-5-beta-bufa-20,22-dienolide
  • 3,5,14-Trihydroxy-19-oxobufa-20,22-dienolide

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
416.51 g/molcalc.
Exact mass
416.2199 Dacalc.
LogP (octanol/water)
2.54calc.
Topological polar surface area
108 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
2calc.
Heavy atoms
30calc.
Rings
5calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.75calc.
Formal charge
0calc.
Stereocentres
8calc.
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.

Hellebrigenin suppliers

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Hellebrigenin 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

Roles

  • animal metabolite
  • antiinfective agent
  • antileishmanial agent
  • antimicrobial agent
  • antimicrobial drug
  • antineoplastic agent
  • antiparasitic agent
  • antiprotozoal drug
  • apoptosis inducer
  • autophagy inducer
  • eukaryotic metabolite
  • metabolite
  • pharmaceutical
  • plant 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 Hellebrigenin 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 Hellebrigenin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Hellebrigenin?

Hellebrigenin is a steroid aldehyde, a steroid lactone, a 3beta-hydroxy steroid, a 14beta-hydroxy steroid, a 19-oxo steroid and a 5beta-hydroxy steroid. It has a role as an autophagy inducer, an antineoplastic agent, an apoptosis inducer, an antileishmanial agent, an animal metabolite and a plant metabolite.

Guides for buyers

Practical guides that help when you source, ship or handle Hellebrigenin

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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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