Cas no 7301-54-4 ([2-[(8S,9S,10R,11R,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2 ,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2 -oxo-ethyl] (2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxo-hexanoate)

[2-[(8S,9S,10R,11R,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2 ,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2 -oxo-ethyl] (2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxo-hexanoate structure
7301-54-4 structure
Product Name:[2-[(8S,9S,10R,11R,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2 ,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2 -oxo-ethyl] (2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxo-hexanoate
CAS No:7301-54-4
MF:C27H38O11
MW:538.58402967453
CID:977720
PubChem ID:56840995
Update Time:2025-04-19

[2-[(8S,9S,10R,11R,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2 ,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2 -oxo-ethyl] (2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxo-hexanoate Chemical and Physical Properties

Names and Identifiers

    • [2-[(8S,9S,10R,11R,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2 ,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2 -oxo-ethyl] (2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxo-hexanoate
    • Cortisol 21-β-D-Glucuronide
    • (11α)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl D-glucuronate
    • [2-[(8S,9S,10R,11R,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2 ,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phen
    • [2-[(8S,9S,10R,11R,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2 ,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2 -oxo-ethyl] (2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxo-hexan
    • 2257616
    • A-D-Glucuronide
    • Cortisol-21-glucosiduronate
    • beta-D-Glucopyranosiduronic acid, (11beta)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl
    • [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] (2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoate
    • Hydrocortisone 21-glucuronate
    • 7301-54-4
    • Cortisol 21-
    • Inchi： 1S/C27H38O11/c1-25-7-5-14(29)9-13(25)3-4-15-16-6-8-27(37,26(16,2)10-17(30)20(15)25)19(32)12-38-24(36)23(35)22(34)21(33)18(31)11-28/h9,11,15-18,20-23,30-31,33-35,37H,3-8,10,12H2,1-2H3/t15-,16-,17-,18-,20+,21+,22-,23-,25-,26-,27-/m0/s1
    • InChI Key： SAWZKWFVRPPPKZ-UKCKIBEOSA-N
    • SMILES： O[C@]1(C(COC([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)=O)=O)CC[C@H]2[C@@H]3CCC4=CC(CC[C@]4(C)[C@H]3[C@H](C[C@@]21C)O)=O

Computed Properties

  • Exact Mass: 538.24141202g/mol
  • Monoisotopic Mass: 538.24141202g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 11
  • Heavy Atom Count: 38
  • Rotatable Bond Count: 9
  • Complexity: 1020
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 11
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.8
  • Topological Polar Surface Area: 199?2

[2-[(8S,9S,10R,11R,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2 ,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2 -oxo-ethyl] (2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxo-hexanoate Related Literature

7301-54-4 ([2-[(8S,9S,10R,11R,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2 ,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2 -oxo-ethyl] (2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxo-hexanoate) Related Products

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