(3R,4S,5S,7R,8R,9Z,11S,14S,15R,17R)-3,8,14-Trihydroxy-17-[(S)-Hydroxy{(2R,3R)-2-Methyl-3-[(2S,3Z)-3-Penten-2-Yl]-2-Oxiranyl}Methyl]-4-Methoxy-5,7,9,11,15-Pentamethyloxacyclooctadec-9-Ene-2,6,12,16-Tetrone

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Properties Simple | Detailed

Formula C27H18O11
IUPAC Name (3r,4s,5s,7r,8r,9z,11s,14s,15r,17r)-3,8,14-trihydroxy-17-[(s)-hydroxy-[(2r,3r)-2-methyl-3-[(z,2s)-pent-3-en-2-yl]oxiran-2-yl]methyl]-4-methoxy-5,7,9,11,15-pentamethyl-1-oxacyclooctadec-9-ene-2,6,12,16-tetrone
Molecular Mass 518.425 g·mol−1
Heat of Formation -1977.4 ± 16.7 kJ·mol−1
Dipole Moment 4.13 ± 1.08 D
Volume 753.83 Å 3
Surface Area 539.28 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy 0.53 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,4s,5s,7r,8r,9z,11s,14s,15r,17r)-3,8,14-trihydroxy-17-[(s)-hydroxy-[(2r,3r)-2-methyl-3-[(z,1s)-1-methylbut-2-enyl]-2-oxiranyl]methyl]-4-methoxy-5,7,9,11,15-pentamethyl-1-oxacyclooctadec-9-ene-2,6,12,16-tetrone
  • (3r,4s,5s,7r,8r,9z,11s,14s,15r,17r)-3,8,14-trihydroxy-17-[(s)-hydroxy-[(2r,3r)-2-methyl-3-[(z,1s)-1-methylbut-2-enyl]oxiran-2-yl]methyl]-4-methoxy-5,7,9,11,15-pentamethyl-1-oxacyclooctadec-9-ene-2,6,12,16-diquinone
  • (3r,4s,5s,7r,8r,9z,11s,14s,15r,17r)-3,8,14-trihydroxy-17-[(s)-hydroxy-[(2r,3r)-2-methyl-3-[(z,1s)-1-methylbut-2-enyl]oxiran-2-yl]methyl]-4-methoxy-5,7,9,11,15-pentamethyl-1-oxacyclooctadec-9-ene-2,6,12,16-tetrone
  • oxacyclooctadec-9-ene-2,6,12,16-tetrone, 3,8,14-trihydroxy-17-((s)-hydroxy((2r,3r)-2-methyl-3-((1s,2z)-1-methyl-2-butenyl)oxiranyl)methyl)-4-methoxy-5,7,9,11,15-pentamethyl-, (3r,4s,5s,7r,8r,9e,11s,14s,15r,17r)-
CAS Number(s)
  • 92471-87-9
InChIKey ILTUTLWVTBBXNS-OOKZJIOFSA-N
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