(3S,6S,9R,10R,11S,12S,15E,18S,21S)-10,12-Dihydroxy-3-(3-Hydroxybenzyl)-18-[(2E)-4-Hydroxy-2-Buten-2-Yl]-6-Isopropyl-11-Methyl-9-(3-Oxobutyl)-19-Oxa-1,4,7,25-Tetraazabicyclo[19.3.1]Pentacosa-13,15-Diene-2,5,8,20-Tetrone

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Formula C39H56N4O10
IUPAC Name (3s,6s,9r,10r,11s,12s,13e,15e,18s,21s)-10,12-dihydroxy-18-[(e)-3-hydroxy-1-methyl-prop-1-enyl]-3-[(3-hydroxyphenyl)methyl]-6-isopropyl-11-methyl-9-(3-oxobutyl)-19-oxa-1,4,7,25-tetrazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone
Molecular Mass 740.883 g·mol−1
Heat of Formation -1752.2 ± 16.7 kJ·mol−1
Dipole Moment 1.76 ± 1.08 D
Volume 906.59 Å 3
Surface Area 634.04 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -0.18 ± eV
Point Group Symmetry C1
Synonyms
  • (13e,15e)-(3s,6s,9r,10r,11s,12s,18s,21s)-10,12-dihydroxy-3-(3-hydroxyben-zyl)-18-((e)-3-hydroxy-1-methylpropenyl)-6-isopropyl-11-methyl-9-(3-oxo-butyl)-19-oxa-1,4,7,25-tetraaza-bicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetraone
  • (3s,6s,9r,10r,11s,12s,13e,15e,18s,21s)-10,12-dihydroxy-18-[(e)-3-hydroxy-1-methyl-prop-1-enyl]-3-[(3-hydroxyphenyl)methyl]-6-isopropyl-11-methyl-9-(3-oxobutyl)-19-oxa-1,4,7,25-tetrazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone
  • (3s,6s,9r,10r,11s,12s,13e,15e,18s,21s)-10,12-dihydroxy-18-[(e)-3-hydroxy-1-methylprop-1-enyl]-3-[(3-hydroxyphenyl)methyl]-6-isopropyl-11-methyl-9-(3-oxobutyl)-19-oxa-1,4,7,25-tetrazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone
  • (3s,6s,9r,10r,11s,12s,13e,15e,18s,21s)-10,12-dihydroxy-18-[(e)-4-hydroxybut-2-en-2-yl]-3-[(3-hydroxyphenyl)methyl]-11-methyl-9-(3-oxobutyl)-6-propan-2-yl-19-oxa-1,4,7,25-tetrazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone
  • (3s,6s,9r,10r,11s,12s,13e,15e,18s,21s)-10,12-dihydroxy-3-(3-hydroxybenzyl)-18-[(e)-3-hydroxy-1-methyl-prop-1-enyl]-6-isopropyl-9-(3-ketobutyl)-11-methyl-19-oxa-1,4,7,25-tetrazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-diquinone
  • sanglifehrin a macrocycle
  • sfm
InChIKey WZVMDDRRINUPRQ-APBCKSDASA-N
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