Products 91599-21-2

CAS 91599-21-2 is the registry number for Withaphysalin D. Offered by: MedChemExpress. Available pack sizes: Get quote.

Withaphysalin D
MedChemExpress
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  • Variants: 1
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Structural formula: {0} (CAS {1})

(1R,2R,5S,6R,12S,13R)-6-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-2-hydroxy-6,13-dimethyl-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icosa-16,18-diene-8,14-dione (CAS 91599-21-2) is a chemical compound with the molecular formula C28H34O6 and a molecular weight of 466.6 g/mol. IUPAC name: (1R,2R,5S,6R,12S,13R)-6-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-2-hydroxy-6,13-dimethyl-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icosa-16,18-diene-8,14-dione. InChIKey: LNINXSFPCHLADE-OZKLRMFXSA-N.

Identity
Molecular formulaC28H34O6
Molecular weight466.6 g/mol
IUPAC name(1R,2R,5S,6R,12S,13R)-6-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-2-hydroxy-6,13-dimethyl-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icosa-16,18-diene-8,14-dione
InChIKeyLNINXSFPCHLADE-OZKLRMFXSA-N
SMILESCC1=C(C(=O)O[C@H](C1)[C@]2([C@H]3CC[C@@]4(C3(CC[C@H]5[C@H]4CC=C6[C@@]5(C(=O)CC=C6)C)C(=O)O2)O)C)C

Computed by PubChem (NCBI)

Synonyms: Withaphysalin D, (+)-Withaphysalin D
Isomers (same molecular formula)
[(1S,2R,4S,6S,7S,10R,11R,16R,18R)-6-(furan-3-yl)-1,7,11,15,15-pentamethyl-5,14-dioxo-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadec-12-en-18-yl] acetate C28H34O6
[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] benzoate C28H34O6
(1R,2R,5S,6R,12S,13R)-6-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-2-hydroxy-6,13-dimethyl-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icosa-15,18-diene-8,14-dione C28H34O6
[(1S,2R,4S,6S,7S,10R,11R,16R,18R)-6-(furan-3-yl)-1,7,11,15,15-pentamethyl-5,14-dioxo-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadec-12-en-18-yl] acetate C28H34O6
(1R,2S,4S,5R,10R,11S)-5-hydroxy-16-[(1S)-1-[(1S,2R,6S)-2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl]ethyl]-10-methyl-3-oxapentacyclo[9.8.0.02,4.05,10.014,19]nonadeca-7,14(19),15,17-tetraen-9-one C28H34O6
[(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] benzoate C28H34O6

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