(11β)-11,17-Dihydroxy-21-[[[(1-oxooctadecyl)oxy]acetyl]oxy]pregna-1,4-diene-3,20-dione

CAS Registry Number®

5060-55-9

CAS Name

(11β)-11,17-Dihydroxy-21-[[[(1-oxooctadecyl)oxy]acetyl]oxy]pregna-1,4-diene-3,20-dione

Molecular Formula

C41H64O8

Molecular Mass

684.94

Cite this Page

(11β)-11,17-Dihydroxy-21-[[[(1-oxooctadecyl)oxy]acetyl]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=5060-55-9 (retrieved 2024-11-22) (CAS RN: 5060-55-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    105-107 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C41H64O8/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-36(45)49-29-37(46)48-28-35(44)41(47)25-23-33-32-21-20-30-26-31(42)22-24-39(30,2)38(32)34(43)27-40(33,41)3/h22,24,26,32-34,38,43,47H,4-21,23,25,27-29H2,1-3H3/t32-,33-,34-,38+,39-,40-,41-/m0/s1

InChIKey

InChIKey=RBJROVWIRLFZFC-PNLFXGMVSA-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(COC(CCCCCCCCCCCCCCCCC)=O)=O)=O)O)[H]

Canonical SMILES

O=C1C=CC2(C(=C1)CCC3C4CCC(O)(C(=O)COC(=O)COC(=O)CCCCCCCCCCCCCCCCC)C4(C)CC(O)C32)C

Other Names for this Substance

  • Pregna-1,4-diene-3,20-dione, 11,17-dihydroxy-21-[[[(1-oxooctadecyl)oxy]acetyl]oxy]-, (11β)-
  • Pregna-1,4-diene-3,20-dione, 11β,17,21-trihydroxy-, 21-glycolate stearate
  • Pregna-1,4-diene-3,20-dione, 11β,17,21-trihydroxy-, 21-ester with glycolic acid, stearate
  • (11β)-11,17-Dihydroxy-21-[[[(1-oxooctadecyl)oxy]acetyl]oxy]pregna-1,4-diene-3,20-dione
  • 11β,17,21-Trihydroxypregna-1,4-diene-3,20-dione 21-glycolate stearate ester

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