(10R,11S,12S)-12-Hydroxy-6,6,10,11-Tetramethyl-4-Propyl-7,8,11,12-Tetrahydro-2H,6H,10H-Dipyrano[2,3-F:2',3'-H]Chromen-2-One

Molecule SVG Image

Properties Simple | Detailed

Formula C22H28O5
IUPAC Name (10r,11s,12s)-12-hydroxy-6,6,10,11-tetramethyl-4-propyl-7,8,11,12-tetrahydro-2h,6h,10h-dipyrano[2,3-f:2',3'-h]chromen-2-one
Molecular Mass 372.455 g·mol−1
Heat of Formation -962.9 ± 16.7 kJ·mol−1
Dipole Moment 7.89 ± 1.08 D
Volume 447.87 Å 3
Surface Area 366.1 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-7,8-dihydrocalanolide a
  • (+)-dihydrocalanolide a
  • (+/-)-dihydrocalanolide a
  • 2h,6h,10h-benzo(1,2-b:3,4-b':5,6-b'')tripyran-2-one, 7,8,11,12-tetrahydro-12-hydroxy-6,6,10,11-tetramethyl-4-propyl-, (10r,11s,12s)-
  • 2h,6h,10h-benzo[1,2-b:3,4-b':5,6-b'']tripyran-2-one, 7,8,11,12-tetrahydro-12-hydroxy-6,6,10,11-tetramethyl-4-propyl-, (10r,11s,12s)-
  • dihydrocalanolide a
CAS Number(s)
  • 183904-53-2
InChIKey YPUTYHJWWMYIGF-FMTVUPSXSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O