Hydroxy[(4As,5As,7Ar,7Bs,9As,14As,14Br,16Ar,16Bs,18As)-13-Hydroxy-1,1,4A,7A,9A,14B,16B-Heptamethyl-2,3,4,4A,5A,6,7,7A,7B,8,9,9A,14,14A,14B,15,16,16A,16B,17,18,18A-Docosahydro-1H-Benzo[B]Indeno[1',2':7,8]Phenanthro[1,2-F]Oxepin-10-Yl]Acetic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C38H56O5
IUPAC Name hydroxy[(4as,5as,7ar,7bs,9as,14as,14br,16ar,16bs,18as)-13-hydroxy-1,1,4a,7a,9a,14b,16b-heptamethyl-2,3,4,4a,5a,6,7,7a,7b,8,9,9a,14,14a,14b,15,16,16a,16b,17,18,18a-docosahydro-1h-benzo[b]indeno[1',2':7,8]phenanthro[1,2-f]oxepin-10-yl]acetic acid
Molecular Mass 592.848 g·mol−1
Heat of Formation -1155.1 ± 16.7 kJ·mol−1
Dipole Moment 0.92 ± 1.08 D
Volume 732.29 Å 3
Surface Area 527.79 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy 3.14 ± eV
Point Group Symmetry C1
InChIKey NAKUKBFDSKFFRM-CTMODHDASA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O