Filipin Iii

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Properties Simple | Detailed

Formula C35H58O11
IUPAC Name (3r,4s,6s,8s,10r,12r,14r,16s,17e,19e,21e,23e,25e,27s,28r)-4,6,8,10,12,14,16,27-octahydroxy-3-[(1r)-1-hydroxyhexyl]-17,28-dimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one
Molecular Mass 654.828 g·mol−1
Heat of Formation -2239.8 ± 16.7 kJ·mol−1
Dipole Moment 8.16 ± 1.08 D
Volume 847.88 Å 3
Surface Area 686.09 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,4s,6s,8s,10r,12r,14r,16s,17e,19e,21e,23e,25e,27s,28r)-4,6,8,10,12,14,16,27-octahydroxy-3-[(1r)-1-hydroxyhexyl]-17,28-dimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one
  • 11078-21-0 (filipin)
  • 14-deoxylagosin
  • 15-deoxylagosin
  • 3,5,7,9,11,13,15,26,27-nonahydroxy-2-(1-hydroxyhexyl)-16-methyl-16,18,20,22,24-octacosapentaensaeure-1,27-lacton
  • 4,6,8,10,12,14,16,27-octahydroxy-3-(1-hydroxyhexyl)-17,28-dimethyl-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one
  • 480-49-9 (14-deoxylagosin)
  • d04186
  • filimarisin
  • filimarisin (van)
  • filipin
  • filipin (usan)
  • oxacyclooctacosa-17,19,21,23,25-pentaen-2-one, 4,6,8,10,12,14,16,27-octahydroxy-3-(1-hydroxyhexyl)-17,28-dimethyl-
  • oxacyclooctacosa-17,19,21,23,25-pentaen-2-one, 4,6,8,10,12,14,16,27-octahydroxy-3-[(1r)-1-hydroxyhexyl]-17,28-dimethyl-, (3r,4s,6s,8s,10r,12r,14r,16s,17e,19e,21e,23e,25e,27s,28r)-
  • oxacyclooctacosane, filipin iii deriv.
  • u 5956
  • u-5956
CAS Number(s)
  • 480-49-9
InChIKey IMQSIXYSKPIGPD-YQRUMEKGSA-N
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DOI
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