(+)-Herboxidiene

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Properties Simple | Detailed

Formula C25H42O6
IUPAC Name 2-[(2r,5s,6s)-6-[(1e,3e,5s)-6-[(2r,3r)-3-[(1r,2r,3r)-3-hydroxy-2-methoxy-1-methyl-butyl]-2-methyl-oxiran-2-yl]-1,5-dimethyl-hexa-1,3-dienyl]-5-methyl-tetrahydropyran-2-yl]acetic acid
Molecular Mass 438.597 g·mol−1
Heat of Formation -1203.0 ± 16.7 kJ·mol−1
Dipole Moment 4.47 ± 1.08 D
Volume 592.23 Å 3
Surface Area 448.07 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy 0.27 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(2r,5s,6s)-6-[(1e,3e,5s)-6-[(2r,3r)-3-[(1r,2r,3r)-3-hydroxy-2-methoxy-1-methyl-butyl]-2-methyl-oxiran-2-yl]-1,5-dimethyl-hexa-1,3-dienyl]-5-methyl-tetrahydropyran-2-yl]acetic acid
  • 2-[(2r,5s,6s)-6-[(1e,3e,5s)-6-[(2r,3r)-3-[(1r,2r,3r)-3-hydroxy-2-methoxy-1-methylbutyl]-2-methyl-2-oxiranyl]-1,5-dimethylhexa-1,3-dienyl]-5-methyl-2-tetrahydropyranyl]acetic acid
  • 2-[(2r,5s,6s)-6-[(2e,4e,6s)-7-[(2r,3r)-3-[(2r,3r,4r)-4-hydroxy-3-methoxy-pentan-2-yl]-2-methyl-oxiran-2-yl]-6-methyl-hepta-2,4-dien-2-yl]-5-methyl-oxan-2-yl]ethanoic acid
  • 2-[(2r,5s,6s)-6-[(2e,4e,6s)-7-[(2r,3r)-3-[(2r,3r,4r)-4-hydroxy-3-methoxypentan-2-yl]-2-methyloxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-5-methyloxan-2-yl]acetic acid
  • 2h-pyran-2-acetic acid, tetrahydro-6-(6-(3-(3-hydroxy-2-methoxy-1-methylbutyl)-2-methyloxiranyl)-1,5-dimethyl-1,3-hexadienyl)-5-methyl-
  • herboxidiene
CAS Number(s)
  • 142861-00-5
InChIKey ISZXEMUWHQLLTC-LSIVYLFASA-N
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