(11β)-11,17-Dihydroxy-21-[[(2E,6E)-3,7,11-trimethyl-1-oxo-2,6,10-dodecatrien-1-yl]oxy]pregna-1,4-diene-3,20-dione

CAS Registry Number®

118244-44-3
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CAS Name

(11β)-11,17-Dihydroxy-21-[[(2E,6E)-3,7,11-trimethyl-1-oxo-2,6,10-dodecatrien-1-yl]oxy]pregna-1,4-diene-3,20-dione

Molecular Formula

C36H50O6

Molecular Mass

578.78

Cite this Page

(11β)-11,17-Dihydroxy-21-[[(2E,6E)-3,7,11-trimethyl-1-oxo-2,6,10-dodecatrien-1-yl]oxy]pregna-1,4-diene-3,20-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=118244-44-3 (retrieved 2024-05-20) (CAS RN: 118244-44-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C36H50O6/c1-23(2)9-7-10-24(3)11-8-12-25(4)19-32(40)42-22-31(39)36(41)18-16-29-28-14-13-26-20-27(37)15-17-34(26,5)33(28)30(38)21-35(29,36)6/h9,11,15,17,19-20,28-30,33,38,41H,7-8,10,12-14,16,18,21-22H2,1-6H3/b24-11+,25-19+/t28-,29-,30-,33+,34-,35-,36-/m0/s1

InChIKey

InChIKey=SBQAKZYUNWNIRL-WIPKXTQKSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(CC3)=CC(=O)C=C4)([C@@H](O)C1)[H])[H])(CC[C@@]2(C(COC(/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)=O)=O)O)[H]

Canonical SMILES

O=C(OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC21C)C=C(C)CCC=C(C)CCC=C(C)C

Other Names for this Substance

  • Pregna-1,4-diene-3,20-dione, 11,17-dihydroxy-21-[[(2E,6E)-3,7,11-trimethyl-1-oxo-2,6,10-dodecatrien-1-yl]oxy]-, (11β)-
  • Pregna-1,4-diene-3,20-dione, 11,17-dihydroxy-21-[(3,7,11-trimethyl-1-oxo-2,6,10-dodecatrienyl)oxy]-, [11β,21(2E,6E)]-
  • Pregna-1,4-diene-3,20-dione, 11,17-dihydroxy-21-[[(2E,6E)-3,7,11-trimethyl-1-oxo-2,6,10-dodecatrienyl]oxy]-, (11β)-
  • (11β)-11,17-Dihydroxy-21-[[(2E,6E)-3,7,11-trimethyl-1-oxo-2,6,10-dodecatrien-1-yl]oxy]pregna-1,4-diene-3,20-dione
  • Prednisolone 21-all-trans-farnesylate

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