Products 508-79-2

CAS 508-79-2 appears in our catalog under these names: Hellebrigenol/ 97.52% (existing batch purity), Hellebrigenol, Hellebrigenol, 97%, 97%, Hellebrigenol, 99.22%. Offered by: TargetMol, GLPBio, Biosynth, Chemat, MedChemExpress. Available pack sizes: 1mg, 5mg, 10mg, 25mg, 50mg, 20mg, 25 mg, 50 mg.

Hellebrigenol/ 97.52% (existing batch purity)
TargetMol
  • size: 1mg, 5mg
  • Variants: 2
from 1242.54
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Hellebrigenol
GLPBio, Biosynth
  • size: 1mg, 10mg, 5mg, 25mg
  • Variants: 6
from 1004.24
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Hellebrigenol, 97%, 97%
Chemat
  • size: 1mg, 10mg, 20mg, 50mg
  • Variants: 4
from 1562.00
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Hellebrigenol, 99.22%
MedChemExpress
  • size: 25 mg, 50 mg, 5 mg, 1 mg
  • Variants: 5
from 1081.31
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Structural formula: {0} (CAS {1})

5-[(3S,5S,8R,9S,10R,13R,14S,17R)-3,5,14-trihydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one (CAS 508-79-2) is a chemical compound with the molecular formula C24H34O6 and a molecular weight of 418.5 g/mol. IUPAC name: 5-[(3S,5S,8R,9S,10R,13R,14S,17R)-3,5,14-trihydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one. InChIKey: ABVKNZHLRVHZSO-XHCIOXAKSA-N.

Identity
Molecular formulaC24H34O6
Molecular weight418.5 g/mol
IUPAC name5-[(3S,5S,8R,9S,10R,13R,14S,17R)-3,5,14-trihydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one
InChIKeyABVKNZHLRVHZSO-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)CO)O

Computed by PubChem (NCBI)

Synonyms: Hellebrigenol, Bufa-20,22-dienolide, 3,5,14,19-tetrahydroxy-, (3beta,5beta)-, 19-Hydroxytelocinobufagin, orb1684550, 3|A,5,14,19-Tetrahydroxy-5|A-bufa-20,22-dienolide, 3beta,5beta,14beta,19-tetrahydroxy-bufa-20,22-dienolide
Isomers (same molecular formula)
4-[(2S,3S)-3-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2-(methoxymethyl)butyl]-1,2-dimethoxybenzene C24H34O6
[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate C24H34O6
[(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] propanoate C24H34O6
(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]icos-17-en-16-one C24H34O6
[(2R)-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-hydroxyethyl] acetate C24H34O6
[2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate C24H34O6
[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-hydroxyethyl] acetate C24H34O6
[(2S,6S,8R,9S,10R,13S,14S,17R)-17-acetyl-2,6-dihydroxy-6,10,13-trimethyl-3-oxo-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate C24H34O6
[2-[(6R,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate C24H34O6
11,17-dihydroxy-10,13-dimethyl-17-[2-(2-oxopropoxy)acetyl]-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C24H34O6
5,9-dimethyl-16-propan-2-yltetracyclo[10.2.2.01,10.04,9]hexadec-15-ene-5,13,14-tricarboxylic acid C24H34O6
[(1R,2S,6R,10S,11R,13S,15R)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 2-methylpropanoate C24H34O6