Erinacin A

cas: 156101-08-5 — see every product listed under this CAS number, including other names

Erinacin A (CAS 156101-08-5) is a chemical reagent available from Chemat. Available pack sizes: on request, 10mg, 25mg, 50mg, 100mg, 200mg. Offered by: Chemat Brand, Hubei YoungXin.

brandChemat Brand
catalog numberRM-E010200
cas156101-08-5
sizeon request
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Structural formula: {0} (CAS {1})

(3aR,5aR,6S)-3a,5a-dimethyl-1-propan-2-yl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,4,5,6,7-hexahydrocyclohepta[e]indene-8-carbaldehyde (CAS 156101-08-5) is a chemical compound with the molecular formula C25H36O6 and a molecular weight of 432.5 g/mol. IUPAC name: (3aR,5aR,6S)-3a,5a-dimethyl-1-propan-2-yl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,4,5,6,7-hexahydrocyclohepta[e]indene-8-carbaldehyde. InChIKey: LPPCHLAEVDUIIW-NLLUTMDRSA-N.

Identity
Molecular formulaC25H36O6
Molecular weight432.5 g/mol
IUPAC name(3aR,5aR,6S)-3a,5a-dimethyl-1-propan-2-yl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,4,5,6,7-hexahydrocyclohepta[e]indene-8-carbaldehyde
InChIKeyLPPCHLAEVDUIIW-NLLUTMDRSA-N
SMILESCC(C)C1=C2C3=CC=C(C[C@@H]([C@@]3(CC[C@]2(CC1)C)C)O[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)C=O

Computed by PubChem (NCBI)

Synonyms: Erinacine A, (+)-Erinacin A, Erinacin A, orb2281215
Related forms of this compound
(3aS,5aS,6R)-3a,5a-dimethyl-1-propan-2-yl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,4,5,6,7-hexahydrocyclohepta[e]indene-8-carbaldehyde C25H36O6
Isomers (same molecular formula)
(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)spiro[1,2,4,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-11-one C25H36O6
(1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one C25H36O6
[(1S,7S,8S,8aS)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-6-oxo-2,7,8,8a-tetrahydro-1H-naphthalen-1-yl] 2,2-dimethylbutanoate C25H36O6
[(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] butanoate C25H36O6
(1R,2R,5R,10R,14R,16R,17S,18R,21S)-17,18-dihydroxy-2,5-dimethyl-8-propan-2-yl-15,20,22-trioxapentacyclo[12.8.0.02,10.05,9.016,21]docosa-8,12-diene-13-carbaldehyde C25H36O6
(4R,9R,12R,13S,21R)-9,12-dimethyl-6-propan-2-yl-14,16-dioxahexacyclo[16.3.1.04,12.05,9.013,21.015,20]docosa-1,5-diene-18,19,20,22-tetrol C25H36O6
(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[2-[2-(2-phenylethyl)-1,3-dioxolan-2-yl]ethyl]cyclopentyl]hept-5-enoic acid C25H36O6
[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] butanoate C25H36O6
[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-12-yl] acetate C25H36O6

Also listed as

Erinacine A TargetMol CAS 156101-08-5
(+)–Erinacin A GLPBio CAS 156101-08-5
(+)-Erinacin A Biosynth CAS 156101-08-5
(+)-Erinacin A, 99.97% MedChemExpress CAS 156101-08-5