12-O-Deacetylscalarafuran

Molecule SVG Image

Properties Simple | Detailed

Formula C25H38O2
IUPAC Name (5as,5br,7as,11as,11br,13r,13as)-5b,8,8,11a,13a-pentamethyl-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydrophenanthro[2,1-e]isobenzofuran-13-ol
Molecular Mass 370.568 g·mol−1
Heat of Formation -475.9 ± 16.7 kJ·mol−1
Dipole Moment 2.88 ± 1.08 D
Volume 473.12 Å 3
Surface Area 356.37 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy 0.89 ± eV
Point Group Symmetry C1
Synonyms
  • 5b,8,8,11a,13a-pentamethyl-4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a-hexadecahydro-2-oxa-cyclopenta[a]chrysen-13-ol
  • chryseno[1,2-c]furan-13-ol, 4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a-hexadecahydro-5b,8,8,11a,13a-pentamethyl-, (5as,5br,7as,11as,11br,13r,13as)-
  • rel-(5ar,5bs,7ar,11ar,11bs,13s,13ar)-5b,8,8,11a,13a-pentamethyl-4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a-hexadecahydrochryseno[1,2-c]furan-13-ol
InChIKey UDGNYLDZHGKWLT-XTKXXMFCSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O