(2S,5S,10S,11R,12E,14S,15S,16S,17S,18R)-1,17-Dihydroxy-10,11,18-Trimethoxy-2,14,16-Trimethyl-5-Phenyl-4,19-Dioxabicyclo[13.3.1]Nonadec-12-En-3-One

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Properties Simple | Detailed

Formula C29H44O8
IUPAC Name formaldehyde; (18z)-5-methoxy-3,7,9-trimethylene-18-(2-methylenecyclopropylidene)-1-oxacyclooctadeca-10,12,14,16-tetrayne-2,4,6,8-tetrone
Molecular Mass 520.655 g·mol−1
Heat of Formation -1502.1 ± 16.7 kJ·mol−1
Dipole Moment 2.24 ± 1.08 D
Volume 646.06 Å 3
Surface Area 454.83 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy 0.08 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2s,3e,5r,6s,11s,14s,15r,16r,17s,18s)-15,17-dihydroxy-5,6,16-trimethoxy-2,14,18-trimethyl-11-phenyl-12,19-dioxabicyclo[13.3.1]nonadec-3-en-13-one
  • 4,19-dioxabicyclo[13.3.1]nonadec-12-en-3-one, 1,17-dihydroxy-10,11,18-trimethoxy-2,14,16-trimethyl-5-phenyl-, (1r,2s,5s,10s,11r,12e,14s,15s,16s,17s,18r)-
  • s1a
  • soraphen a
  • soraphen a1.alpha.
CAS Number(s)
  • 122547-72-2
InChIKey WPMGNXPRKGXGBO-OFQQMTDKSA-N
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