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5alpha-Androstane-3beta,17alpha-diol

PubChem CID: 446934

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Compound Synonyms 5alpha-androstane-3beta,17alpha-diol, 5alpha-androstan-3beta,17alpha-diol, 5-ALPHA-ANDROSTANE-3-BETA,17-ALPHA-DIOL, 5856-11-1, UNII-0IF82ZEY2K, 0IF82ZEY2K, 3beta,17alpha-Dihydroxy-5alpha-androstane, CHEBI:40836, Androstane-3,17-diol, (3beta,5alpha,17alpha)-, (3S,5S,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol, 5.ALPHA.-ANDROSTAN-3.BETA.,17.ALPHA.-DIOL, 5.ALPHA.-ANDROSTANE-3.BETA.,17.ALPHA.-DIOL, ANDROSTANE-3,17-DIOL, (3.BETA.,5.ALPHA.,17.ALPHA.)-, (3S,5R,8R,9S,10S,13S,14S,17R)-10,13-DIMETHYL-2,3,4,5,6,7,8,9,11,12,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-3,17-DIOL, 5 alpha Androstane 3 alpha,17 beta diol, 5?-Androstan-3?,17?-diol, 5alpha Androstane 3beta,17alpha diol, 5 alpha Androstane 3 beta,17 alpha diol, 5 alpha-Androstane-3 beta,17 alpha-diol, 5a-Androstane-3b,17a-diol, SCHEMBL4997503, 3b,17a-Dihydroxy-5a-androstane, LMST02020080, DB03926, (3b,5a,17a)-Androstane-3,17-diol, AON, PD006638, NS00070260, Q27094786, 3.BETA.,17.ALPHA.-DIHYDROXY-5.ALPHA.-ANDROSTANE
Topological Polar Surface Area 40.5
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 21.0
Isotope Atom Count 0.0
Molecular Complexity 422.0
Database Name cmaup_ingredients;fooddb_chem_all;pubchem
Defined Atom Stereocenter Count 8.0
Iupac Name (3S,5S,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
Prediction Hob 0.0
Xlogp 4.2
Molecular Formula C19H32O2
Prediction Swissadme 0.0
Inchi Key CBMYJHIOYJEBSB-MFXFBURESA-N
Fcsp3 1.0
Logs -2.873
Rotatable Bond Count 0.0
Logd 3.865
Compound Name 5alpha-Androstane-3beta,17alpha-diol
Prediction Hob Swissadme 0.0
Exact Mass 292.24
Formal Charge 0.0
Monoisotopic Mass 292.24
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 292.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 8.0
Total Bond Stereocenter Count 0.0
Esol -4.2740706
Inchi InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,17+,18-,19-/m0/s1
Smiles C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@H]4O)C)O
Nring 4.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Aglaia Gigantea (Plant) Rel Props:Source_db:cmaup_ingredients
  • 2. Outgoing r'ship FOUND_IN to/from Andropogon Nardus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 3. Outgoing r'ship FOUND_IN to/from Clibadium Pentaneuron (Plant) Rel Props:Source_db:cmaup_ingredients
  • 4. Outgoing r'ship FOUND_IN to/from Croton Californicus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 5. Outgoing r'ship FOUND_IN to/from Croton Sparsiflorus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 6. Outgoing r'ship FOUND_IN to/from Culcitium Canescens (Plant) Rel Props:Source_db:cmaup_ingredients
  • 7. Outgoing r'ship FOUND_IN to/from Dendrobium Rotundatum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 8. Outgoing r'ship FOUND_IN to/from Eriostemon Fitzgeraldii (Plant) Rel Props:Source_db:cmaup_ingredients
  • 9. Outgoing r'ship FOUND_IN to/from Espeletia Marcana (Plant) Rel Props:Source_db:cmaup_ingredients
  • 10. Outgoing r'ship FOUND_IN to/from Malva Crispa (Plant) Rel Props:Source_db:cmaup_ingredients
  • 11. Outgoing r'ship FOUND_IN to/from Neoalsomitra Integrifolia (Plant) Rel Props:Source_db:cmaup_ingredients
  • 12. Outgoing r'ship FOUND_IN to/from Nolina Erumpens (Plant) Rel Props:Source_db:cmaup_ingredients
  • 13. Outgoing r'ship FOUND_IN to/from Petasites Niveus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 14. Outgoing r'ship FOUND_IN to/from Picrorhiza Kurrooa (Plant) Rel Props:Source_db:cmaup_ingredients
  • 15. Outgoing r'ship FOUND_IN to/from Piptolepis Leptospermoides (Plant) Rel Props:Source_db:cmaup_ingredients
  • 16. Outgoing r'ship FOUND_IN to/from Ratibida Latipalearis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 17. Outgoing r'ship FOUND_IN to/from Solanum Toxicarium (Plant) Rel Props:Source_db:cmaup_ingredients
  • 18. Outgoing r'ship FOUND_IN to/from Toxicodendron Succedaneum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 19. Outgoing r'ship FOUND_IN to/from Weddellina Squamulosa (Plant) Rel Props:Source_db:cmaup_ingredients
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