(4Ar,4Bs,5S,6As,6Bs,8S,9Ar,10As,10Bs)-6B-Glycoloyl-5-Hydroxy-4A,6A-Dimethyl-8-Propyl-4A,4B,5,6,6A,6B,9A,10,10A,10B,11,12-Dodecahydro-2H-Naphtho[2',1':4,5]Indeno[1,2-D][1,3]Dioxol-2-One

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Formula C25H34O6
IUPAC Name (4ar,4bs,5s,6as,6bs,8s,9ar,10as,10bs)-6b-glycoloyl-5-hydroxy-4a,6a-dimethyl-8-propyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2h-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one
Molecular Mass 430.534 g·mol−1
Heat of Formation -1054.2 ± 16.7 kJ·mol−1
Dipole Moment 3.98 ± 1.08 D
Volume 519.1 Å 3
Surface Area 401.05 Å 2
HOMO Energy -9.79 ± 0.55 eV
LUMO Energy -0.39 ± eV
Point Group Symmetry C1
Synonyms
  • (s)-16alpha,17-(butylidenedioxy)-11beta,21-dihydroxypregna-1,4-diene-3,20-dione
  • budesonide (11beta,16alpha(s))
  • budesonide (jan/usan/inn)
  • d00246
CAS Number(s)
  • 51372-28-2
InChIKey VOVIALXJUBGFJZ-AMTWPJRWSA-N
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