Lobophorolide

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Properties Simple | Detailed

Formula C42H70O12
IUPAC Name (1s,3s,4s,5s,7r,8s,9r,14e,16r,17r,19r)-16-hydroxy-9-[(1s,2s,3s)-2-hydroxy-5-[(2s,4r,6s)-4-methoxy-6-methyl-tetrahydropyran-2-yl]-1,3-dimethyl-pentyl]-3,5,7,17-tetramethoxy-8,14-dimethyl-spiro[10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-triene-4,2'-oxirane]-11-one
Molecular Mass 766.998 g·mol−1
Heat of Formation -2083.5 ± 16.7 kJ·mol−1
Dipole Moment 5.34 ± 1.08 D
Volume 977.0 Å 3
Surface Area 653.02 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -0.15 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,3s,4s,5s,7r,8s,9r,12e,14e,16r,17r,19r)-16-hydroxy-9-[(1s,2s,3s)-2-hydroxy-5-[(2s,4r,6s)-4-methoxy-6-methyl-2-tetrahydropyranyl]-1,3-dimethylpentyl]-3,5,7,17-tetramethoxy-8,14-dimethyl-11-spiro[10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-triene-4,2'-oxirane]one
  • (1s,3s,4s,5s,7r,8s,9r,12e,14e,16r,17r,19r)-16-hydroxy-9-[(1s,2s,3s)-2-hydroxy-5-[(2s,4r,6s)-4-methoxy-6-methyl-tetrahydropyran-2-yl]-1,3-dimethyl-pentyl]-3,5,7,17-tetramethoxy-8,14-dimethyl-spiro[10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-triene-4,2'-oxirane]-11-one
  • (1s,3s,4s,5s,7r,8s,9r,12e,14e,16r,17r,19r)-16-hydroxy-9-[(2s,3s,4s)-3-hydroxy-6-[(2s,4r,6s)-4-methoxy-6-methyl-oxan-2-yl]-4-methyl-hexan-2-yl]-3,5,7,17-tetramethoxy-8,14-dimethyl-spiro[10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-triene-4,2'-oxirane]-11-one
  • (1s,3s,4s,5s,7r,8s,9r,12e,14e,16r,17r,19r)-16-hydroxy-9-[(2s,3s,4s)-3-hydroxy-6-[(2s,4r,6s)-4-methoxy-6-methyloxan-2-yl]-4-methylhexan-2-yl]-3,5,7,17-tetramethoxy-8,14-dimethylspiro[10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-triene-4,2'-oxirane]-11-one
InChIKey YPLVKLZVFQFTLN-NNZJXHHNSA-N
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