Products 81644-34-0

CAS 81644-34-0 appears in our catalog under these names: Withaperuvin C, Withaperuvin C. Offered by: GLPBio, Biosynth, MedChemExpress. Available pack sizes: 5mg, 10mg, 25mg, 50mg, Get quote.

Withaperuvin C
GLPBio
  • size: 5mg
  • Variants: 1
from 3798.50
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Withaperuvin C
Biosynth, MedChemExpress
  • size: 10mg, 5mg, 25mg, 50mg
  • Variants: 5
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Structural formula: {0} (CAS {1})

Withaperuvin C is a withanolide.

Source: ChEBI

Identity
Molecular formulaC28H38O7
Molecular weight486.6 g/mol
IUPAC name(2R)-2-[(1S)-1-hydroxy-1-[(6R,8R,9S,10R,13S,14R,17S)-6,14,17-trihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,15,16-octahydrocyclopenta[a]phenanthren-17-yl]ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one
InChIKeyIBJZGHYOMSKIJB-TWLFGGHSSA-N
SMILESCC1=C(C(=O)O[C@H](C1)[C@@](C)([C@@]2(CC[C@@]3([C@@]2(CC[C@H]4[C@H]3C[C@H](C5=CC=CC(=O)[C@]45C)O)C)O)O)O)C

Computed by PubChem (NCBI)

Synonyms: Withaperuvin C, (22R)-6beta,14,17,20-Tetrahydroxy-22,26-epoxyergosta-2,4,24-triene-1,26-dione
Isomers (same molecular formula)
[(8S,9S,10R,11S,13S,14S,17R)-17-(2-acetyloxyacetyl)-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] pentanoate C28H38O7
(2E,4Z,6R,8Z,10E,14E,17S,18E,20Z)-20-(carboxymethyl)-6-methoxy-2,5,17-trimethyldocosa-2,4,8,10,14,18,20-heptaenedioic acid C28H38O7
[2-[(8S,9S,10R,11S,13S,14S,16R,17R)-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate C28H38O7
(2E,4Z,8Z,10E,14E,18E,20Z)-20-(carboxymethyl)-6-methoxy-2,5,17-trimethyldocosa-2,4,8,10,14,18,20-heptaenedioic acid C28H38O7
[2-[(1S,2R,4S,8R,9S,11S,12R,13R,19R)-11,19-dihydroxy-9,13-dimethyl-16-methylidene-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] acetate C28H38O7
[2-[(8S,9S,10R,11S,13S,14S,16S,17R)-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate C28H38O7
(2R)-2-[(1S)-1-hydroxy-1-[(4S,8R,9S,10R,13S,14R,17S)-4,14,17-trihydroxy-10,13-dimethyl-1-oxo-4,7,8,9,11,12,15,16-octahydrocyclopenta[a]phenanthren-17-yl]ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one C28H38O7
methyl (3S,5R,8S,9R,10S,13R,14R)-3-acetyloxy-10-formyl-4,4,8,12,13,16-hexamethyl-15,17-dioxo-2,3,5,6,7,9-hexahydro-1H-cyclopenta[a]phenanthrene-14-carboxylate C28H38O7
5-[(1S)-1-[(1R)-2-[(1R,3R)-2,2-dimethyl-3-(3-oxobutyl)cyclopropyl]-1-methyl-3-oxocyclopentyl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde C28H38O7
5-[(1S)-1-[(1R,2R)-2-[(1R,3R)-2,2-dimethyl-3-(3-oxobutyl)cyclopropyl]-1-methyl-3-oxocyclopentyl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde C28H38O7
[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-16-acetyloxy-14-hydroxy-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-3-yl] acetate C28H38O7
(2R,3R,4R,6R)-6-[[(1R,4R,5R,8S,16S,19S,22R)-5,19-dimethyl-15,18,20-trioxahexacyclo[14.5.1.01,14.04,13.05,10.019,22]docosa-9,11,13-trien-8-yl]oxy]-4-methoxy-2-methyloxan-3-ol C28H38O7