ChemicalBook--->CAS DataBase List--->113085-62-4

113085-62-4

113085-62-4 Structure

113085-62-4 Structure
IdentificationBack Directory
[Name]

7-O-MethylrosManol
[CAS]

113085-62-4
[Synonyms]

7-Methylrosmanol
7-Methoxyrosmanol
7-O-MethylrosManol
7alpha-Methoxyrosmanol
7-Methylrosmanol >=95% (LC/MS-ELSD)
7-Methylrosmanol - Rosmarinus officinalis (rosemary)
2H-10,4a-(Epoxymethano)phenanthren-12-one, 1,3,4,9,10,10a-hexahydro-5,6-dihydroxy-9-methoxy-1,1-dimethyl-7-(1-methylethyl)-, (4aR,9S,10S,10aS)-
[Molecular Formula]

C21H28O5
[MDL Number]

MFCD24849307
[MOL File]

113085-62-4.mol
[Molecular Weight]

360.44
Chemical PropertiesBack Directory
[Boiling point ]

542.3±50.0 °C(Predicted)
[density ]

1.26±0.1 g/cm3(Predicted)
[storage temp. ]

-20°C
[form ]

Solid
[pka]

9.02±0.60(Predicted)
[color ]

White to off-white
[Major Application]

metabolomics
vitamins, nutraceuticals, and natural products
[InChI]

1S/C21H28O5/c1-10(2)11-9-12-13(15(23)14(11)22)21-8-6-7-20(3,4)18(21)17(16(12)25-5)26-19(21)24/h9-10,16-18,22-23H,6-8H2,1-5H3/t16-,17+,18-,21-/m0/s1
[InChIKey]

XNPVHIQPSAZTLC-NYUBLWNDSA-N
[SMILES]

CO[C@@H]1[C@H]2OC(=O)[C@@]3(CCCC(C)(C)[C@H]23)c4c(O)c(O)c(cc14)C(C)C
Safety DataBack Directory
[Symbol(GHS) ]

Environment (GHS09)
GHS09
[Signal word ]

Warning
[Hazard statements ]

H410
[Precautionary statements ]

P273-P501
[Hazard Codes ]

N
[Risk Statements ]

50
[Safety Statements ]

61
[RIDADR ]

UN 3077 9 / PGIII
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Aquatic Acute 1
Aquatic Chronic 1
Hazard InformationBack Directory
[Uses]

7-?O-?Methylrosmanol is a diterpenoid rosmic acid derivative displaying antitumor effects and inducing apoptosis and G2?/M arrest of neuroblastoma cells.
Spectrum DetailBack Directory
[Spectrum Detail]

7-O-MethylrosManol(113085-62-4)1HNMR
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