Products 4099-30-3

CAS 4099-30-3 appears in our catalog under these names: Desacetylcinobufotalin, Desacetylcinobufotalin, 99.41%. Offered by: TRC, MedChemExpress. Available pack sizes: 25mg, 5 mg, 1 mg, 10mM/1mL.

Desacetylcinobufotalin
TRC
  • size: 25mg
  • Variants: 1
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Desacetylcinobufotalin, 99.41%
MedChemExpress
  • size: 5 mg, 1 mg, 10mM/1mL
  • Variants: 3
from 839.82
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Structural formula: {0} (CAS {1})

5-[(1R,2S,4R,5R,6R,7R,10S,11R,14S,16S)-5,14,16-trihydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]pyran-2-one (CAS 4099-30-3) is a chemical compound with the molecular formula C24H32O6 and a molecular weight of 416.5 g/mol. IUPAC name: 5-[(1R,2S,4R,5R,6R,7R,10S,11R,14S,16S)-5,14,16-trihydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]pyran-2-one. InChIKey: FRYICJTUIXEEGK-NNWVIVGYSA-N.

Identity
Molecular formulaC24H32O6
Molecular weight416.5 g/mol
IUPAC name5-[(1R,2S,4R,5R,6R,7R,10S,11R,14S,16S)-5,14,16-trihydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]pyran-2-one
InChIKeyFRYICJTUIXEEGK-NNWVIVGYSA-N
SMILESC[C@]12CC[C@@H](C[C@]1(CC[C@@H]3[C@@H]2CC[C@]4([C@]35[C@H](O5)[C@@H]([C@@H]4C6=COC(=O)C=C6)O)C)O)O

Computed by PubChem (NCBI)

Synonyms: Desacetylcinobufotalin, De-O-acetylcinobufotalin, Deacetylcinobufotalin, orb1684651, 3beta,5beta,16beta-trihydroxy-14beta,15beta-epoxy-bufa-20,22-dienolide
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