(3R,4Ar,10As)-3,4A-Dichloro-10A-{[(1S,3S,6S)-3-Chloro-6-Hydroxy-2,2,6-Trimethylcyclohexyl]Methyl}-6,8-Dihydroxy-2,2-Dimethyl-3,4,4A,10A-Tetrahydro-2H-Benzo[G]Chromene-5,10-Dione

Molecule SVG Image

Properties Simple | Detailed

Formula C25H31Cl3O6
IUPAC Name (3r,4ar,10as)-3,4a-dichloro-10a-[[(1s,3s,6s)-3-chloro-6-hydroxy-2,2,6-trimethyl-cyclohexyl]methyl]-6,8-dihydroxy-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione
Molecular Mass 533.869 g·mol−1
Heat of Formation -1364.1 ± 16.7 kJ·mol−1
Dipole Moment 1.87 ± 1.08 D
Volume 577.44 Å 3
Surface Area 403.31 Å 2
HOMO Energy -10.14 ± 0.55 eV
LUMO Energy -1.67 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,4ar,10as)-3,4a-dichloro-10a-[[(1s,3s,6s)-3-chloro-6-hydroxy-2,2,6-trimethyl-cyclohexyl]methyl]-6,8-dihydroxy-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione
  • (3r,4ar,10as)-3,4a-dichloro-10a-[[(1s,3s,6s)-3-chloro-6-hydroxy-2,2,6-trimethyl-cyclohexyl]methyl]-6,8-dihydroxy-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,10-quinone
  • (3r,4ar,10as)-3,4a-dichloro-10a-[[(1s,3s,6s)-3-chloro-6-hydroxy-2,2,6-trimethylcyclohexyl]methyl]-6,8-dihydroxy-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione
  • 13-hydroxy-13-methylnapyradiomycin b1
  • 2h-naphtho(2,3-b)pyran-5,10-dione, 3,4a-dichloro-10a-((3-chloro-6-hydroxy-2,2,6-trimethylcyclohexyl)methyl)-3,4,4a,10a-tetrahydro-6,8-dihydroxy-2,2-dimethyl-, (3r-(3alpha,4abeta,10abeta(1s*,3s*,6s*)))-
  • napyradiomycin b4
  • npd-b4
CAS Number(s)
  • 111216-63-8
InChIKey WIMMWIAJQXLZLL-VTQDYBALSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O Cl