(1'R,2S,3'R,6'R,8'R,12'S,14'R,15'S,18'R,19'Z,21'Z,25'R,26'S)-6',15'-Dihydroxy-18'-[(1R)-1-Hydroxyethyl]-5',14',26'-Trimethyl-11'H,23'H-Spiro[Oxirane-2,27'-[2,10,13,17,24]Pentaoxapentacyclo[23.2.1.0~3,8~.0~8,26~.0~12,14~]Octacosa[4,19,21]Triene]-11',23'-Dione

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Formula C29H38O11
IUPAC Name (1'r,2s,3'r,6'r,8'r,12's,14'r,15's,18'r,19'z,21'z,25'r,26's)-6',15'-dihydroxy-18'-[(1r)-1-hydroxyethyl]-5',14',26'-trimethyl-11'h,23'h-spiro[oxirane-2,27'-[2,10,13,17,24]pentaoxapentacyclo[23.2.1.0 3,8 .0 8,26 .0 12,14 ]octacosa[4,19,21]triene]-11',23'-dione
Molecular Mass 562.605 g·mol−1
Heat of Formation -1607.8 ± 16.7 kJ·mol−1
Dipole Moment 2.89 ± 1.08 D
Volume 651.57 Å 3
Surface Area 465.82 Å 2
HOMO Energy -9.81 ± 0.55 eV
LUMO Energy 2.50 ± eV
Point Group Symmetry C1
Synonyms
  • baccharin b4
  • baccharinoid b4
  • baccharinol
  • baccharinol b4
  • verrucarin a, 7'-deoxo-2'-deoxy-2',3'-epoxy-4',8-dihydroxy-7'-(1-hydroxyethyl)-, (2's,3'r,4's,7'r(r),8r)-
CAS Number(s)
  • 63783-94-8
InChIKey ZGOCMMMDEQOCDU-HZGKGMIHSA-N
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