(4As,4Br,10Ar,10Bs,12As)-10A,12A-Dimethyl-3,4,4A,5,6,9,10,10A,10B,11,12,12A-Dodecahydro-2H-Naphtho[2,1-F]Chromene-2,8(4Bh)-Dione

Molecule SVG Image

Properties Simple | Detailed

Formula C19H26O3
IUPAC Name (4as,4br,10ar,10bs,12as)-10a,12a-dimethyl-4,4a,4b,5,6,9,10,10b,11,12-decahydro-3h-naphtho[2,1-f]chromene-2,8-dione
Molecular Mass 302.408 g·mol−1
Heat of Formation -638.6 ± 16.7 kJ·mol−1
Dipole Moment 3.96 ± 1.08 D
Volume 373.95 Å 3
Surface Area 303.62 Å 2
HOMO Energy -9.92 ± 0.55 eV
LUMO Energy -0.17 ± eV
Point Group Symmetry C1
Synonyms
  • (4as,4br,10ar,10bs,12as)-10a,12a-dimethyl-4,4a,4b,5,6,9,10,10b,11,12-decahydro-3h-naphtho[6,5-f]chromene-2,8-dione
  • (4as,4br,10ar,10bs,12as)-10a,12a-dimethyl-4,4a,4b,5,6,9,10,10b,11,12-decahydro-3h-naphtho[6,5-f]chromene-2,8-quinone
  • 13,17-secoandrost-4-en-17-oic acid, 13-hydroxy-3-oxo-, delta-lactone (8ci)
  • 17a-oxa-d-homoandrost-4-ene-3,17-dione
  • 3-oxo-13,17-secoandrost-4-ene-17,13alpha-lactone
  • 3-oxo-13,17-secoandrost-4-eno-17,13-alpha-lactone
  • 3-oxo-13,17-secoandrost-4-eno-17,13alpha-lactone
  • d-homo-17a-oxaandrost-4-ene-3,17-dione (9ci)
  • d-homo-17alpha-oxaandrost-4-ene-3,17-dione
  • lmst02020061
CAS Number(s)
  • 4416-57-3
InChIKey CNIXJDVUMXTEKX-DZBHQSCQSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O