(1R,3R,4S,7S,9S,11S,13R,14R,15R)-4,11,13,14-Tetrahydroxy-7-[(2Z,4R)-4-(Hydroxymethyl)-2-Hexen-2-Yl]-3,9,15-Trimethoxy-12,12-Dimethyl-6,17-Dioxabicyclo[11.3.1]Heptadecan-5-One

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Formula C27H48O11
IUPAC Name (1r,3r,4s,7s,9s,11s,13r,14r,15r)-4,11,13,14-tetrahydroxy-7-[(z,3r)-3-(hydroxymethyl)-1-methyl-pent-1-enyl]-3,9,15-trimethoxy-12,12-dimethyl-6,17-dioxabicyclo[11.3.1]heptadecan-5-one
Molecular Mass 548.663 g·mol−1
Heat of Formation -2246.1 ± 16.7 kJ·mol−1
Dipole Moment 2.05 ± 1.08 D
Volume 664.18 Å 3
Surface Area 472.11 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy 3.64 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3s,5s,7s,10s,11r,13r,15r,16r)-1,3,10,16-tetrahydroxy-5,11,15-trimethoxy-2,2-dimethyl-7-[(z,3r)-1-methyl-3-methylol-pent-1-enyl]-8,17-dioxabicyclo[11.3.1]heptadecan-9-one
  • (1r,3s,5s,7s,10s,11r,13r,15r,16r)-1,3,10,16-tetrahydroxy-7-[(z,3r)-3-(hydroxymethyl)-1-methyl-pent-1-enyl]-5,11,15-trimethoxy-2,2-dimethyl-8,17-dioxabicyclo[11.3.1]heptadecan-9-one
  • (1r,3s,5s,7s,10s,11r,13r,15r,16r)-1,3,10,16-tetrahydroxy-7-[(z,3r)-3-(hydroxymethyl)-1-methylpent-1-enyl]-5,11,15-trimethoxy-2,2-dimethyl-8,17-dioxabicyclo[11.3.1]heptadecan-9-one
  • (1r,3s,5s,7s,10s,11r,13r,15r,16r)-1,3,10,16-tetrahydroxy-7-[(z,4r)-4-(hydroxymethyl)hex-2-en-2-yl]-5,11,15-trimethoxy-2,2-dimethyl-8,17-dioxabicyclo[11.3.1]heptadecan-9-one
InChIKey NETARJWZTMGMRM-QOXVJYTGSA-N
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