Cas no 881896-95-3 (6α-(Methoxymethyl)androsta-1,4-dien-3,17-dione)

6α-(Methoxymethyl)androsta-1,4-dien-3,17-dione structure
881896-95-3 structure
Product Name:6α-(Methoxymethyl)androsta-1,4-dien-3,17-dione
CAS No:881896-95-3
MF:C21H28O3
MW:328.445226669312
CID:1064049
PubChem ID:11842922
Update Time:2024-10-26

6α-(Methoxymethyl)androsta-1,4-dien-3,17-dione Chemical and Physical Properties

Names and Identifiers

    • 6α-(Methoxymethyl)androsta-1,4-dien-3,17-dione
    • 6α-(Methoxymethyl)an
    • (6α)-6-(Methoxymethyl)androsta-1,4-diene-3,17-dione (ACI)
    • SCHEMBL2842294
    • DB-229474
    • 6alpha-(Methoxymethyl)androsta-1,4-dien-3,17-dione
    • 881896-95-3
    • 6?-(Methoxymethyl)androsta-1,4-dien-3,17-dione
    • (6S,8R,9S,10R,13S,14S)-6-(methoxymethyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione
    • Inchi: 1S/C21H28O3/c1-20-8-6-14(22)11-18(20)13(12-24-3)10-15-16-4-5-19(23)21(16,2)9-7-17(15)20/h6,8,11,13,15-17H,4-5,7,9-10,12H2,1-3H3/t13-,15+,16+,17+,20-,21+/m1/s1
    • InChI Key: UGSFBVXJOYBPOV-NRPQEYHISA-N
    • SMILES: C[C@]12C=CC(=O)C=C1[C@@H](COC)C[C@H]1[C@@H]3CCC(=O)[C@]3(CC[C@H]21)C

Computed Properties

  • Exact Mass: 328.20384475g/mol
  • Monoisotopic Mass: 328.20384475g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 2
  • Complexity: 646
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 6
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.7
  • Topological Polar Surface Area: 43.4?2

6α-(Methoxymethyl)androsta-1,4-dien-3,17-dione Security Information

6α-(Methoxymethyl)androsta-1,4-dien-3,17-dione Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
M226045-2.5mg
6α-(Methoxymethyl)androsta-1,4-dien-3,17-dione
881896-95-3
2.5mg
$ 253.00 2023-09-07
TRC
M226045-25mg
6α-(Methoxymethyl)androsta-1,4-dien-3,17-dione
881896-95-3
25mg
$ 1920.00 2023-09-07
SHENG KE LU SI SHENG WU JI SHU
sc-490723-2.5 mg
6α-(Methoxymethyl)androsta-1,4-dien-3,17-dione,
881896-95-3
2.5 mg
¥3,234.00 2023-07-11
SHENG KE LU SI SHENG WU JI SHU
sc-490723-2.5mg
6α-(Methoxymethyl)androsta-1,4-dien-3,17-dione,
881896-95-3
2.5mg
¥3234.00 2023-09-05

6α-(Methoxymethyl)androsta-1,4-dien-3,17-dione Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Hydrochloric acid Solvents: Water ;  24 h, rt
1.2 Reagents: Sodium bicarbonate Solvents: Water ;  neutralized, rt
Reference
Derivatives of exemestane-synthesis and evaluation of aromatase inhibition
Goerlitzer, K.; et al, Pharmazie, 2006, 61(7), 575-581

Production Method 2

Reaction Conditions
1.1 Reagents: Pyrrolidine ;  20 h, reflux
1.2 Solvents: Ethanol ,  Benzene ,  Water ;  5 h, rt
2.1 Reagents: Hydrochloric acid Solvents: Water ;  24 h, rt
2.2 Reagents: Sodium bicarbonate Solvents: Water ;  neutralized, rt
Reference
Derivatives of exemestane-synthesis and evaluation of aromatase inhibition
Goerlitzer, K.; et al, Pharmazie, 2006, 61(7), 575-581

6α-(Methoxymethyl)androsta-1,4-dien-3,17-dione Raw materials

6α-(Methoxymethyl)androsta-1,4-dien-3,17-dione Preparation Products

6α-(Methoxymethyl)androsta-1,4-dien-3,17-dione Related Literature

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