22,23-Dihydroavermectin B1A

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Formula C48H74O14
IUPAC Name (1r,4s,5's,6r,6'r,8r,10e,10r,12s,13s,14e,16e,21r,24s)-21,24-dihydroxy-12-[(2r,4s,5s,6s)-5-[(2s,4s,5s,6s)-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-5',11,13,22-tetramethyl-6'-[(1s)-1-methylpropyl]spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.120,24]pentacosa-10,14,16,22-tetraene-6,2'-tetrahydropyran]-2-one
Molecular Mass 875.093 g·mol−1
Heat of Formation -2743.1 ± 16.7 kJ·mol−1
Dipole Moment 5.42 ± 1.08 D
Volume 1087.46 Å 3
Surface Area 757.49 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy 0.07 ± eV
Point Group Symmetry C1
Synonyms
  • (2ae,4e,5's,6s,6'r,7s,8e,11r,13r,15s,17ar,20r,20ar,20bs)-20,20b-dihydroxy-5',6,8,19-tetramethyl-6'-[(1s)-1-methylpropyl]-17-oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2h,7h-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-o-(2,6-dideoxy-3-o-methyl-alpha-l-arabino-hexopyranosyl)-3-o-methyl-alpha-l-arabino-hexopyranoside
  • bpbio1_000322
InChIKey AZSNMRSAGSSBNP-XPNPUAGNSA-N
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