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Hydroxysteroids

Description:

Compounds containing an steroid backbone, with at least one hydrogen substituted by a hydroxyl group.
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  1. Dexamethasone
    Cas Number: 50-02-2        EC Number: 200-003-9
    Formula:  C22H29FO5        Molecular Weight: 392.46
    IUPAC Name:  (8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthreshow more
    SMILES:  CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C
    InChIKey: UREBDLICKHMUKA-CXSFZGCWSA-N
    InChI:  InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3show more
    Synonyms: Prednisolone F | 9α-Fluoro-16α-methyl-11β,17α,21-trihydroxy-1,4-pregnadiene-3,20-dione | (11β,16α)-9-Fluoro-11,17,21-...
  2. Betamethasone 17-benzoate
      Grade & Purity: 
    • ≥98%
    Cas Number: 22298-29-9        Compound CID:  5282492
    Formula:  C29H33FO6        Molecular Weight: 496.57
    IUPAC Name:  [(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthshow more
    SMILES:  CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)OC(=O)C5=CC=CC=C5)C)O)F)C
    InChIKey: SOQJPQZCPBDOMF-YCUXZELOSA-N
    InChI:  InChI=1S/C29H33FO6/c1-17-13-22-21-10-9-19-14-20(32)11-12-26(19,2)28(21,30)23(33)15-27(22,3)29(17,24(34)16-31)36-25(35)18-7-5-4-6-8-18/h4-8,11-12,14,17show more
  3. Tetrahydrocortisone
      Grade & Purity: 
    • ≥98%
    Cas Number: 53-05-4
    Formula:  C21H32O5        Molecular Weight: 364.5
    IUPAC Name:  (3R,5R,8S,9S,10S,13S,14S,17R)-3,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-1show more
    SMILES:  CC12CCC(CC1CCC3C2C(=O)CC4(C3CCC4(C(=O)CO)O)C)O
    InChIKey: SYGWGHVTLUBCEM-ZIZPXRJBSA-N
    InChI:  InChI=1S/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-15,18,22-23,26H,3-11H2,1-2H3/t12-,13-,14+,15+,show more
  4. Paramethasone
      Grade & Purity: 
    • ≥98%
    Cas Number: 53-33-8        Compound CID:  5875
    Formula:  C22H29FO5        Molecular Weight: 392.46
    IUPAC Name:  (6S,8S,9S,10R,11S,13S,14S,16R,17R)-6-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]pheshow more
    SMILES:  CC1CC2C3CC(C4=CC(=O)C=CC4(C3C(CC2(C1(C(=O)CO)O)C)O)C)F
    InChIKey: MKPDWECBUAZOHP-AFYJWTTESA-N
    InChI:  InChI=1S/C22H29FO5/c1-11-6-14-13-8-16(23)15-7-12(25)4-5-20(15,2)19(13)17(26)9-21(14,3)22(11,28)18(27)10-24/h4-5,7,11,13-14,16-17,19,24,26,28H,6,8-10H2show more
  5. 6-alpha-Fluoro-isoflupredone
      Grade & Purity: 
    • ≥97%
    Cas Number: 806-29-1        Compound CID:  101859
    Formula:  C21H26F2O5        Molecular Weight: 396.42
    IUPAC Name:  (6S,8S,9R,10S,11S,13S,14S,17R)-6,9-difluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrenshow more
    SMILES:  CC12CC(C3(C(C1CCC2(C(=O)CO)O)CC(C4=CC(=O)C=CC43C)F)F)O
    InChIKey: ABUISBDTYAZRHY-RBKZJGKHSA-N
    InChI:  InChI=1S/C21H26F2O5/c1-18-5-3-11(25)7-14(18)15(22)8-13-12-4-6-20(28,17(27)10-24)19(12,2)9-16(26)21(13,18)23/h3,5,7,12-13,15-16,24,26,28H,4,6,8-10H2,1-show more
  6. Ibrexafungerp
    Cas Number: 1207753-03-4        Compound CID:  46871657
    Formula:  C44H67N5O4        Molecular Weight: 730
    IUPAC Name:  (1R,5S,6R,7R,10R,11R,14R,15S,20R,21R)-21-[(2R)-2-amino-2,3,3-trimethylbutoxy]-5,7,10,15-tetramethyl-7-[(2R)-3-methylbutan-2-yl]-20-(5-pyridin-4-yl-1,2show more
    SMILES:  CC(C)C(C)C1(CCC2(C3CCC4C5(COCC4(C3=CCC2(C1C(=O)O)C)CC(C5OCC(C)(C(C)(C)C)N)N6C(=NC=N6)C7=CC=NC=C7)C)C)C
    InChIKey: BODYFEUFKHPRCK-ZCZMVWJSSA-N
    InChI:  InChI=1S/C44H67N5O4/c1-27(2)28(3)39(7)18-19-41(9)30-12-13-33-40(8)23-52-25-44(33,31(30)14-17-42(41,10)34(39)37(50)51)22-32(35(40)53-24-43(11,45)38(4,5show more
    Synonyms: Ibrexafungerp | AKOS032946516 | ibrexafungerpum | Ibrexafungerp [USAN] | (1S,4aR,6aS,7R,8R,10aR,10bR,12aR,14R,15R)-15...
  7. Ibrexafungerp citrate
      Grade & Purity: 
    • ≥98%
    Cas Number: 1965291-08-0        Compound CID:  137552087
    Formula:  C50H75N5O11        Molecular Weight: 922.2
    IUPAC Name:  (1R,5S,6R,7R,10R,11R,14R,15S,20R,21R)-21-[(2R)-2-amino-2,3,3-trimethylbutoxy]-5,7,10,15-tetramethyl-7-[(2R)-3-methylbutan-2-yl]-20-(5-pyridin-4-yl-1,2show more
    SMILES:  CC(C)C(C)C1(CCC2(C3CCC4C5(COCC4(C3=CCC2(C1C(=O)O)C)CC(C5OCC(C)(C(C)(C)C)N)N6C(=NC=N6)C7=CC=NC=C7)C)C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
    InChIKey: WKIRTJACGBEXBZ-FQGZCCSZSA-N
    InChI:  InChI=1S/C44H67N5O4.C6H8O7/c1-27(2)28(3)39(7)18-19-41(9)30-12-13-33-40(8)23-52-25-44(33,31(30)14-17-42(41,10)34(39)37(50)51)22-32(35(40)53-24-43(11,45show more
    Synonyms: Ibrexafungerp citrate | GLXC-26020 | Ibrexafungerp citrate [USAN] | brexafemme | D11545 | 4H-1,4A-PROPANO-2H-PHENANTH...
  8. Diflucortolone
      Grade & Purity: 
    • ≥95%
    Cas Number: 2607-06-9        Compound CID:  11954369
    Formula:  C22H28F2O4        Molecular Weight: 394.5
    IUPAC Name:  (6S,8S,9R,10S,11S,13S,14S,16R,17S)-6,9-difluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]pheshow more
    SMILES:  CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1C(=O)CO)C)O)F)C)F
    InChIKey: OGPWIDANBSLJPC-RFPWEZLHSA-N
    InChI:  InChI=1S/C22H28F2O4/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-21(15,3)22(14,24)18(28)9-20(13,2)19(11)17(27)10-25/h4-5,7,11,13-14,16,18-19,25,28H,6,8-10H2,1show more
    Synonyms: diflucortolone | OGPWIDANBSLJPC-RFPWEZLHSA-N | SCHEMBL3794 | DIFLUCORTOLONE [USAN] | W-107205 | CHEMBL509924 | (6S,8S...
  9. (1S,2S,4R,8S,9S,12S,13R)-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosa-14,17-diene-11,16-dione
    Cas Number: 216453-74-6        Compound CID:  91810638
    Formula:  C25H32O6        Molecular Weight: 428.5
    IUPAC Name:  (1S,2S,4R,8S,9S,12S,13R)-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-diene-11,16-dione
    SMILES:  [H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4([H])C(=O)C[C@]3(C)[C@@]1(OC(CCC)O2)C(=O)CO
    InChIKey: NTERSHSWHLAIHV-ADKFLVHOSA-N
    InChI:  InChI=1S/C25H32O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-17,20-22,26H,4-7,11-13Hshow more
  10. Dexamethasone 17-acetate
    Cas Number: 25122-35-4        Compound CID:  14442
    Formula:  C24H31FO6        Molecular Weight: 434.5
    IUPAC Name:  [(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthshow more
    SMILES:  CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)OC(=O)C)C)O)F)C
    InChIKey: FPVRUILUEYSIMD-RPRRAYFGSA-N
    InChI:  InChI=1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(28)7-8-21(15,3)23(17,25)19(29)11-22(18,4)24(13,20(30)12-26)31-14(2)27/h7-8,10,13,17-19,26,29H,5-6,9,11-1show more
    Synonyms: Dexamethasone 17-acetate | Pregna-1,4-diene-3,20-dione, 17-(acetyloxy)-9-fluoro-11,21-dihydroxy-16-methyl-, (11beta,1...
  11. Dexamethasone-d5
      Grade & Purity: 
    • ≥99%
    Cas Number: 358731-91-6
    Formula:  C22H24D5FO5        Molecular Weight: 397.49
    IUPAC Name:  (8S,9R,10S,11S,13S,14S,16R,17R)-4,6,6-trideuterio-17-(2,2-dideuterio-2-hydroxyacetyl)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-8,11,12,14,15,16-hexshow more
    SMILES:  CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C
    InChIKey: UREBDLICKHMUKA-QEPYKOQPSA-N
    InChI:  InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3show more
    Synonyms: MS-26711 | (11beta,16alpha)-9-Fluoro-11,17,21-trihydroxy-16-methyl(4,6,6,21,21-~2~H_5_)pregna-1,4-diene-3,20-dione | ...
  12. 11-Dehydrocorticosterone
    Cas Number: 72-23-1        Compound CID:  5311364
    Formula:  C21H28O4        Molecular Weight: 344.44
    IUPAC Name:  (8S,9S,10R,13S,14S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
    SMILES:  CC12CCC(=O)C=C1CCC3C2C(=O)CC4(C3CCC4C(=O)CO)C
    InChIKey: FUFLCEKSBBHCMO-KJQYFISQSA-N
    InChI:  InChI=1S/C21H28O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-16,19,22H,3-8,10-11H2,1-2H3/t14-,15-,16+,19+,20show more
    Synonyms: (8S,9S,10R,13S,14S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenan...
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