Roseoside I

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Properties Simple | Detailed

Formula C19H30O8
IUPAC Name (4s)-4-hydroxy-3,5,5-trimethyl-4-[(e,3r)-3-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxybut-1-enyl]cyclohex-2-en-1-one
Molecular Mass 386.437 g·mol−1
Heat of Formation -1474.5 ± 16.7 kJ·mol−1
Dipole Moment 7.04 ± 1.08 D
Volume 473.4 Å 3
Surface Area 362.99 Å 2
HOMO Energy -9.82 ± 0.55 eV
LUMO Energy -0.19 ± eV
Point Group Symmetry C1
Synonyms
  • (4s)-4-hydroxy-3,5,5-trimethyl-4-[(e,3r)-3-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]cyclohex-2-en-1-one
  • (4s)-4-hydroxy-3,5,5-trimethyl-4-[(e,3r)-3-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxybut-1-enyl]cyclohex-2-en-1-one
  • (4s)-4-hydroxy-3,5,5-trimethyl-4-[(e,3r)-3-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxybut-1-enyl]cyclohex-2-en-1-one
  • (4s)-4-hydroxy-3,5,5-trimethyl-4-[(e,3r)-3-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]but-1-enyl]-1-cyclohex-2-enone
InChIKey SWYRVCGNMNAFEK-MHXFFUGFSA-N
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