(5'S,13'R,17'S)-10',17'-Dihydroxy-4'-Methyl-1,3-Dihydro-14'H-Spiro[Indene-2,15'-[12]Oxa[4]Azapentacyclo[9.6.1.0~1,13~.0~5,17~.0~7,18~]Octadeca[7(18),8,10]Trien]-14'-One
Properties
Property | Value |
---|---|
Formula | C25H25NO4 |
IUPAC Name | (3r,4s,4as,7ar,12br)-4a,9-dihydroxy-3-methyl-spiro[1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-6,2'-indane]-7-one |
Molecular Mass | 403.470 g·mol−1 |
Heat of Formation | -376.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.40 ± 1.08 D |
Volume | 455.9 Å 3 |
Surface Area | 364.45 Å 2 |
HOMO Energy | -8.68 ± 0.55 eV |
LUMO Energy | 0.07 ± eV |
Point Group Symmetry | C1 |
InChIKey | YJWDKWRVFJZBCJ-RTMPEQEDSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |