(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',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
Properties
Property | Value |
---|---|
Formula | C35H50O8 |
IUPAC Name | (1s,3'r,4s,5's,6s,6's,8r,10e,10r,13r,14e,16e,21r,24s)-3',24-dihydroxy-21-methoxy-5',11,13,22-tetramethyl-6'-[(e)-1-methylprop-1-enyl]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 | 598.767 g·mol−1 |
Heat of Formation | -1454.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.82 ± 1.08 D |
Volume | 749.82 Å 3 |
Surface Area | 562.22 Å 2 |
HOMO Energy | -9.09 ± 0.55 eV |
LUMO Energy | -0.13 ± eV |
Point Group Symmetry | C1 |
InChIKey | GECMPKVUETUUQS-NGFRVQRVSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |