(4aS,4bS,8R,9bR,11aS)-4,4a,4b,5,6,7,8,9,9b,10,11,11a-Dodecahydro-8-hydroxy-4a,7,7-trimethylcyclopenta(5,6)naphtho(1,2-c)pyran-2(1H)-one (>90%)

cas: 2088050-58-0 — see every product listed under this CAS number, including other names

(4aS,4bS,8R,9bR,11aS)-4,4a,4b,5,6,7,8,9,9b,10,11,11a-Dodecahydro-8-hydroxy-4a,7,7-trimethylcyclopenta(5,6)naphtho(1,2-c)pyran-2(1H)-one (>90%) (CAS 2088050-58-0) is a chemical reagent available from Chemat. Available pack sizes: 100mg, 10mg, 50mg. Offered by: TRC.

brandTRC
catalog numberTRC-D319930-100MG
cas2088050-58-0
size100mg
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Structural formula: {0} (CAS {1})

(2R,3bR,5aS,9aS,9bS)-2-hydroxy-1,1,9a-trimethyl-3,3b,4,5,5a,6,9,9b,10,11-decahydro-2H-indeno[4,5-h]isochromen-7-one (CAS 2088050-58-0) is a chemical compound with the molecular formula C19H28O3 and a molecular weight of 304.4 g/mol. IUPAC name: (2R,3bR,5aS,9aS,9bS)-2-hydroxy-1,1,9a-trimethyl-3,3b,4,5,5a,6,9,9b,10,11-decahydro-2H-indeno[4,5-h]isochromen-7-one. InChIKey: VXCSMDVWCIPKRU-GLJDYUSFSA-N.

Identity
Molecular formulaC19H28O3
Molecular weight304.4 g/mol
IUPAC name(2R,3bR,5aS,9aS,9bS)-2-hydroxy-1,1,9a-trimethyl-3,3b,4,5,5a,6,9,9b,10,11-decahydro-2H-indeno[4,5-h]isochromen-7-one
InChIKeyVXCSMDVWCIPKRU-GLJDYUSFSA-N
SMILESC[C@]12COC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CCC4=C3C[C@H](C4(C)C)O

Computed by PubChem (NCBI)

Isomers (same molecular formula)
methyl 12-oxo-12-phenyldodecanoate C19H28O3
(5S,8S,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,11-dione C19H28O3
(3R,5R,8S,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-11,17-dione C19H28O3
(6S,8R,9S,10R,13S,14S,17S)-6,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one C19H28O3
(8S,9S,10R,11S,13S,14S,17S)-11,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one C19H28O3
(1R,3bR,5aS,9aS,9bS)-1-(hydroxymethyl)-1,9a-dimethyl-3,3b,4,5,5a,6,9,9b,10,11-decahydro-2H-indeno[4,5-h]isochromen-7-one C19H28O3
(6R,8R,9S,10R,13S,14S,17S)-6,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one C19H28O3
(3S,4R,8R,9S,10R,13S,14S)-3,4-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one C19H28O3
(3S,8R,9S,10R,13S,14S,17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one C19H28O3
(1S,3aS,5aS,9aS,9bS,11aS)-1-hydroxy-1,9a,11a-trimethyl-2,3,3a,5,5a,6,9,9b,10,11-decahydroindeno[4,5-h]isochromen-7-one C19H28O3
(3R,5S,8S,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-11,17-dione C19H28O3
(3S,7S,8R,9S,10R,13S,14S)-3,7-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one C19H28O3