Hellebrigenin

cas: 465-90-7 — see every product listed under this CAS number, including other names

Hellebrigenin (CAS 465-90-7) is a chemical reagent available from Chemat. Available pack sizes: 1mg. Offered by: GLPBio.

brandGLPBio
catalog numberGC64786-1
cas465-90-7
size1mg
Need more information?

Ask us about this product — we're happy to help.

Available pack sizes

brand size price
GLPBio 1mg 2689.22 Pln

properties

purityNo data
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

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.

Source: ChEBI

Identity
Molecular formulaC24H32O6
Molecular weight416.5 g/mol
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
InChIKeyTVKPTWJPKVSGJB-XHCIOXAKSA-N
SMILESC[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

Computed by PubChem (NCBI)

Synonyms: Hellebrigenin, 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)
Isomers (same molecular formula)
(1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one C24H32O6
methyl (7R,8S,9S,10R,11R,13S,14S,17R)-11-hydroxy-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylate C24H32O6
(1S,2S,4R,8S,9S,11S,12S,13S,14R,18R)-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxahexacyclo[10.8.0.02,9.04,8.013,18.014,18]icos-16-en-15-one C24H32O6
(1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-diene-8-carboxylic acid C24H32O6
[2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate C24H32O6
(1S,2S,4R,8S,9S,11R,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one C24H32O6
methyl (7S,8S,9S,10R,11R,13S,14S,17R)-11-hydroxy-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylate C24H32O6
[2-[(6R,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate C24H32O6
117895-92-8 C24H32O6
3386-78-5 C24H32O6
[2-[(8S,9S,10R,11S,13S,14S,16R,17R)-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate C24H32O6
[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-6-methylidene-3-oxo-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate C24H32O6

Also listed as

Bufotalidin Biosynth CAS 465-90-7
Hellebrigenin, 99.69% MedChemExpress CAS 465-90-7