Antibiotic B-41D

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Properties Simple | Detailed

Formula C33H48O7
IUPAC Name (1r,4s,5's,6r,6'r,8r,10e,10r,13r,14e,16e,21r,24s)-21,24-dihydroxy-6'-isopropyl-5',11,13,22-tetramethyl-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 556.730 g·mol−1
Heat of Formation -1369.0 ± 16.7 kJ·mol−1
Dipole Moment 4.52 ± 1.08 D
Volume 701.68 Å 3
Surface Area 511.06 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -0.50 ± eV
Point Group Symmetry C1
Synonyms
  • (6r,25)-5-o-demethyl-28-deoxy-6,28-epoxy-25-(1-methylethyl)milbemycin b
  • b 41d
  • milbemycin d
CAS Number(s)
  • 77855-81-3
InChIKey BWCRYQGQPDBOAU-WZBVPYLGSA-N
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