(4Ar,4Bs,6As,7R,9As,9Bs,11Ar)-7-[(2S)-1-Hydroxy-2-Propanyl]-1,4A,6A-Trimethyltetradecahydrocyclopenta[5,6]Naphtho[2,1-D][1,3]Oxazin-2(1H)-One

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Properties Simple | Detailed

Formula C21H35NO3
IUPAC Name (4ar,4bs,6as,7r,9as,9bs,11ar)-7-[(2s)-1-hydroxy-2-propanyl]-1,4a,6a-trimethyltetradecahydrocyclopenta[5,6]naphtho[2,1-d][1,3]oxazin-2(1h)-one
Molecular Mass 349.508 g·mol−1
Heat of Formation -729.2 ± 16.7 kJ·mol−1
Dipole Moment 6.68 ± 1.08 D
Volume 451.43 Å 3
Surface Area 351.64 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy 1.20 ± eV
Point Group Symmetry C1
Synonyms
  • 20-(hydroxymethyl)-4-methyl-4-aza-2-oxapregnan-3-one
  • 20-hmaop
  • 20-hydroxymethyl-4-methyl-4-aza-2-oxa-5alpha-pregnan-3-one
CAS Number(s)
  • 96000-11-2
InChIKey VQISOTOPDCGBAH-GRYWWZJOSA-N
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