Products 1227511-09-2

CAS 1227511-09-2 is the registry number for NDC 1308. Offered by: MedChemExpress. Available pack sizes: Get quote.

NDC 1308
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Structural formula: {0} (CAS {1})

(6R,8R,9S,13S,14S,17S)-6-(6-methoxyhexyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol (CAS 1227511-09-2) is a chemical compound with the molecular formula C25H38O3 and a molecular weight of 386.6 g/mol. IUPAC name: (6R,8R,9S,13S,14S,17S)-6-(6-methoxyhexyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol. InChIKey: WIJIRYKVMWGBHO-NXYDILSSSA-N.

Identity
Molecular formulaC25H38O3
Molecular weight386.6 g/mol
IUPAC name(6R,8R,9S,13S,14S,17S)-6-(6-methoxyhexyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
InChIKeyWIJIRYKVMWGBHO-NXYDILSSSA-N
SMILESC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)C[C@H](C4=C3C=CC(=C4)O)CCCCCCOC

Computed by PubChem (NCBI)

Isomers (same molecular formula)
(6aS,10aS)-9-(hydroxymethyl)-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol C25H38O3
3-[(3E,7E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,7-dienyl]-2-hydroxy-2H-furan-5-one C25H38O3
(6aR,10aR)-9-(hydroxymethyl)-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol C25H38O3
[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 4-methylpentanoate C25H38O3
[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] hexanoate C25H38O3
(1R,3S,4R,7S,8E,11S,12R)-4-hydroxy-1,4-dimethyl-12-[(2S)-6-methylhept-5-en-2-yl]-6-oxotricyclo[9.3.0.03,7]tetradec-8-ene-8-carbaldehyde C25H38O3
(1S,3R,6R,7S,9E,13S,15R,16S)-3,15-dimethyl-6-[(2S,3Z)-6-methylhepta-3,5-dien-2-yl]-12-oxatetracyclo[8.5.1.03,7.013,16]hexadec-9-ene-13,15-diol C25H38O3
(2S,3S,3aR,5aS,9aS,9bR)-3-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-2,3a,6,6,9a-pentamethyl-3,4,5,5a,7,8,9,9b-octahydro-1H-cyclopenta[a]naphthalene-2-carbaldehyde C25H38O3
(3S,4R,5R,10S,13R,14R,17R)-3-hydroxy-17-[(2S)-1-hydroxypropan-2-yl]-4,10,13,14-tetramethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-4-carbaldehyde C25H38O3
(3R,4R,5R,10S,13R,14R,17R)-3-hydroxy-17-[(2S)-1-hydroxypropan-2-yl]-4,10,13,14-tetramethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-4-carbaldehyde C25H38O3

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