Produkty 80809-95-6

CAS 80809-95-6 to numer rejestracyjny substancji AA863. Oferty producentów: MedChemExpress. Dostępne opakowania: Get quote.

AA863
MedChemExpress
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Wzór strukturalny: {0} (CAS {1})

2-(12-hydroxydodeca-5,10-diynyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione (CAS 80809-95-6) to związek chemiczny o wzorze sumarycznym C21H26O5 i masie molowej 358.4 g/mol. Nazwa systematyczna IUPAC: 2-(12-hydroxydodeca-5,10-diynyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione. InChIKey: XZNSTIQKLTYQRE-UHFFFAOYSA-N.

Dane identyfikacyjne
Wzór sumarycznyC21H26O5
Masa molowa358.4 g/mol
Nazwa IUPAC2-(12-hydroxydodeca-5,10-diynyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
InChIKeyXZNSTIQKLTYQRE-UHFFFAOYSA-N
SMILESCC1=C(C(=O)C(=C(C1=O)OC)OC)CCCCC#CCCCC#CCO

Dane obliczone przez PubChem (NCBI)

Synonimy: orb1701314, XZNSTIQKLTYQRE-UHFFFAOYSA-N, 2,3-dimethoxy-5-methyl-6-(12-hydroxy-5,10-dodecadiynyl)-1,4-benzoquinone
Izomery (ten sam wzór sumaryczny)
3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propane-1,2-diol C21H26O5
(1S,2S,4R,6S,7S,9S,10S,11R)-9-hydroxy-6-(2-hydroxyacetyl)-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadeca-12,15-dien-14-one C21H26O5
(8S,10S,13S,14S,16R,17S)-16,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one C21H26O5
(3S,3aR,9aR)-3-hexanoyl-9a-methyl-6-[(E)-prop-1-enyl]-3,3a,4,8-tetrahydrofuro[3,2-g]isochromene-2,9-dione C21H26O5
(1S,2S,4R,8S,9S,11S,12S,13R)-6,11-dihydroxy-9,13-dimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-diene-7,16-dione C21H26O5
(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-3-one C21H26O5
(1S,2S,10S,11S,14R,15S,17S)-14-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-5-one C21H26O5
2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoacetaldehyde C21H26O5
(8S,9S,10R,11R,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-3-one C21H26O5
2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoacetaldehyde C21H26O5
(8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione C21H26O5
1-(2,6-dihydroxyphenyl)-9-(3,4-dihydroxyphenyl)nonan-1-one C21H26O5

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