7-Methylrosmanol - Rosmarinus officinalis (rosemary)

cas: 113085-62-4 — see every product listed under this CAS number, including other names

7-Methylrosmanol - Rosmarinus officinalis (rosemary) (CAS 113085-62-4) is a chemical reagent available from Chemat. Available pack sizes: 1mg, 2mg, 5mg. Offered by: Biosynth.

brandBiosynth
catalog numberXM170487-1mg
cas113085-62-4
size1mg
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properties

categoryControlled Products
purityNo data
delivery time1-2 weeks
Structural formula: {0} (CAS {1})

(1R,8S,9S,10S)-3,4-dihydroxy-8-methoxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-15-one (CAS 113085-62-4) is a chemical compound with the molecular formula C21H28O5 and a molecular weight of 360.4 g/mol. IUPAC name: (1R,8S,9S,10S)-3,4-dihydroxy-8-methoxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-15-one. InChIKey: XNPVHIQPSAZTLC-NYUBLWNDSA-N.

Identity
Molecular formulaC21H28O5
Molecular weight360.4 g/mol
IUPAC name(1R,8S,9S,10S)-3,4-dihydroxy-8-methoxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-15-one
InChIKeyXNPVHIQPSAZTLC-NYUBLWNDSA-N
SMILESCC(C)C1=C(C(=C2C(=C1)[C@@H]([C@@H]3[C@@H]4[C@@]2(CCCC4(C)C)C(=O)O3)OC)O)O

Computed by PubChem (NCBI)

Synonyms: 7-Methoxyrosmanol, 7-O-Methylrosmanol, 7-O-Methoxyrosmanol, orb1219538, orb1297478, 7-Methylrosmanol, >=95% (LC/MS-ELSD), 7-Methylrosmanol - Rosmarinus officinalis (rosemary), 11,12-Dihydroxy-7alpha-methoxy-6beta-6,20-epoxyabieta-8,11,13-trien-20-one
Related forms of this compound
(1R,8R,9S,10S)-3,4-dihydroxy-8-methoxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-15-one C21H28O5
Isomers (same molecular formula)
(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one C21H28O5
(8S,9S,10R,13S,14S,17R)-17-[(1R)-1,2-dihydroxyethyl]-17-hydroxy-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione C21H28O5
(8S,9S,10R,13S,14S,17R)-1,2-dideuterio-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione C21H28O5
2-hydroxy-2-[(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]acetic acid C21H28O5
(8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione C21H28O5
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-oxoacetaldehyde C21H28O5
(8R,9S,10R,13S,14S,16R,17S)-16,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one C21H28O5
(8S,9S,10R,11R,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one C21H28O5
(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]octadec-6-en-5-one C21H28O5
11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one C21H28O5
1,3-bis[4-(2-methoxyethyl)phenoxy]propan-2-ol C21H28O5

Also listed as

7–Methoxyrosmanol GLPBio CAS 113085-62-4
7-Methoxyrosmanol/ 98.4% (existing batch purity) TargetMol CAS 113085-62-4
7-Methoxyrosmanol, 98.63% MedChemExpress CAS 113085-62-4