(3R,4S,6S,8S,10R,12R,14R,15R,16R,17E,19E,21E,23E,25E,27S,28R)-4,6,8,10,12,14,15,16,27-Nonahydroxy-3-[(1R)-1-Hydroxyhexyl]-17,28-Dimethyloxacyclooctacosa-17,19,21,23,25-Pentaen-2-One

Molecule SVG Image

Properties Simple | Detailed

Formula C23H14O12
IUPAC Name 1-[2-(2,3-dioxobutanoyl)-3-oxo-cyclopropen-1-yl]-5,7-dihydroxy-8-(oxomethylene)trideca-5,6-dien-10,12-diyne-1,3,9-trione; formaldehyde
Molecular Mass 482.350 g·mol−1
Heat of Formation -2429.6 ± 16.7 kJ·mol−1
Dipole Moment 8.38 ± 1.08 D
Volume 860.76 Å 3
Surface Area 668.47 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,4s,6s,8s,10r,12r,14r,15r,16r,17e,19e,21e,23e,25e,27s,28r)-4,6,8,10,12,14,15,16,27-nonahydroxy-3-[(1r)-1-hydroxyhexyl]-17,28-dimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one
  • 14-hydroxyfilipin
  • antibiotic 246
  • d01829
  • moldcidin b
  • oxacyclooctacosa-17,19,21,23,25-pentaen-2-one, 4,6,8,10,12,14,15,16,27-nonahydroxy-3-[(1r)-1-hydroxyhexyl]-17,28-dimethyl-,(3r,4s,6s,8s,10r,12r,14r,15r,16r,17e,19e,21e,23e,25e,27s,28r)-
  • pentamycin
  • pentamycin (jan)
  • s-232
CAS Number(s)
  • 6834-98-6
InChIKey AGJUUQSLGVCRQA-SWOUQTJZSA-N
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