{(2S,3R,4'S,5S,6S,8'R,10'E,13'R,14'E,16'E,20'R,21'R,24'S)-6-[(2E)-2-Buten-2-Yl]-3,24'-Dihydroxy-21'-Methoxy-5,11',13'-Trimethyl-2'-Oxo-3,4,5,6-Tetrahydrospiro[Pyran-2,6'-[3,7,19]Trioxatetracyclo[15.6.1.1~4,8~.0~20,24~]Pentacosa[10,14,16,22]Tetraen]-22'-Yl}Methyl (2E)-2-Methyl-2-Butenoate

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Properties Simple | Detailed

Formula C40H56O10
IUPAC Name {(1'r,2s,3r,4's,5s,6s,8'r,10'e,13'r,14'e,16'e,20'r,21'r,24's)-6-[(2e)-2-buten-2-yl]-3,24'-dihydroxy-21'-methoxy-5,11',13'-trimethyl-2'-oxo-3,4,5,6-tetrahydrospiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.1 4,8 .0 20,24 ]pentacosa[10,14,16,22]tetraen]-22'-yl}methyl (2e)-2-methyl-2-butenoate
Molecular Mass 696.867 g·mol−1
Heat of Formation -1726.9 ± 16.7 kJ·mol−1
Dipole Moment 5.25 ± 1.08 D
Volume 862.42 Å 3
Surface Area 570.69 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy 2.93 ± eV
Point Group Symmetry C1
InChIKey NSZTYARPRNHEHV-YYWRHKIBSA-N
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