(1'R,2R,4'S,5S,6S,8'R,13'R,20'R,21'R,24'S)-6-[(2E)-2-Buten-2-Yl]-21',24'-Dihydroxy-5,11',13',22'-Tetramethyl-3,4,5,6-Tetrahydro-2'H-Spiro[Pyran-2,6'-[3,7,19]Trioxatetracyclo[15.6.1.1~4,8~.0~20,24~]Pentacosa[10,14,16,22]Tetraen]-2'-One

Molecule SVG Image

Properties Simple | Detailed

Formula C34H48O7
IUPAC Name (1'r,2r,4's,5s,6s,8'r,13'r,20'r,21'r,24's)-6-[(2e)-2-buten-2-yl]-21',24'-dihydroxy-5,11',13',22'-tetramethyl-3,4,5,6-tetrahydro-2'h-spiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.1 4,8 .0 20,24 ]pentacosa[10,14,16,22]tetraen]-2'-one
Molecular Mass 568.741 g·mol−1
Heat of Formation -1323.5 ± 16.7 kJ·mol−1
Dipole Moment 3.29 ± 1.08 D
Volume 717.12 Å 3
Surface Area 546.4 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy 2.93 ± eV
Point Group Symmetry C1
Synonyms
  • milbemycin b, 5-o-demethyl-28-deoxy-6,28-epoxy-25-(1-methyl-1-propenyl)-, (6r,25s(e))-
  • vm 44857
  • vm-44857
CAS Number(s)
  • 112125-00-5
InChIKey UOKFUNLRMUEGHY-HZXSVBQFSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O