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

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Formula C35H58O11
IUPAC Name (3s,4s,6s,8s,10r,12r,14r,16r,17z,19z,21z,23z,25z,27s,28s)-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 -2245.2 ± 16.7 kJ·mol−1
Dipole Moment 5.50 ± 1.08 D
Volume 824.75 Å 3
Surface Area 612.85 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy 2.35 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,4s,6s,8s,10r,12r,14r,16r,17z,19z,21z,23z,25z,27s,28s)-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
InChIKey IMQSIXYSKPIGPD-CNYRRFOGSA-N
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