Cas no 121021-51-0 (6β-Hydroxymethylandrosta-1,4-diene-3,17-dione)

6β-Hydroxymethylandrosta-1,4-diene-3,17-dione structure
121021-51-0 structure
Product Name:6β-Hydroxymethylandrosta-1,4-diene-3,17-dione
CAS No:121021-51-0
MF:C20H26O3
MW:314.418646335602
CID:827638
PubChem ID:11842920
Update Time:2025-04-19

6β-Hydroxymethylandrosta-1,4-diene-3,17-dione Chemical and Physical Properties

Names and Identifiers

    • Exemestane Related Compound B
    • 6β-Hydroxymethylandrosta-1,4-diene-3,17-dione
    • 6B-HYDROXYMETHYLANDROSTA-1,4-DIENE-3,17-DIONE
    • (6R,8R,9S,10R,13S,14S)-6-(hydroxymethyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione
    • 6β-(HydroxyMethyl)androsta-1,4-dien-3,17-dione
    • 6beta-(Hydroxymethyl)androsta-1,4-dien-3,17-dione
    • Exemestane 6β-Hydroxymethylandrosta-1,4-diene-3,17-dione
    • Exemestane Related Compound B (15 mg) (6-hydroxymethylandrostra-1,4-diene-3,17-dione)
    • 121021-51-0
    • Androsta-1,4-diene-3,17-dione, 6-(hydroxymethyl)-, (6beta)-; 6beta-(Hydroxymethyl)androsta-1,4-dien-3,17-dione; 6beta-Hydroxymethylandrosta-1,4-diene-3,17-dione; Exemestane Impurity B as 6ss-Isomer
    • CID 11842920
    • DTXSID30474290
    • SCHEMBL135324
    • 6?-Hydroxymethylandrosta-1,4-diene-3,17-dione
    • 6beta-Hydroxymethylandrosta-1,4-diene-3,17-dione
    • Inchi: 1S/C20H26O3/c1-19-7-5-13(22)10-17(19)12(11-21)9-14-15-3-4-18(23)20(15,2)8-6-16(14)19/h5,7,10,12,14-16,21H,3-4,6,8-9,11H2,1-2H3/t12-,14-,15-,16-,19+,20-/m0/s1
    • InChI Key: DAXJNUBSBFUTRP-JKNDIDBPSA-N
    • SMILES: O=C1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@]3(C=CC(C=C3[C@H](CO)C[C@@H]21)=O)C

Computed Properties

  • Exact Mass: 314.18800
  • Monoisotopic Mass: 314.18819469g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 1
  • Complexity: 631
  • 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: 2.1
  • Topological Polar Surface Area: 54.4?2

Experimental Properties

  • Density: 1.19±0.1 g/cm3 (20 oC 760 Torr),
  • Solubility: Very slightly soluble (0.26 g/l) (25 o C),
  • PSA: 54.37000
  • LogP: 3.08180

6β-Hydroxymethylandrosta-1,4-diene-3,17-dione Pricemore >>

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6β-Hydroxymethylandrosta-1,4-diene-3,17-dione Production Method

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