(+)-Calanolide B

Molecule SVG Image

Properties Simple | Detailed

Formula C22H26O5
IUPAC Name (+)-calanolide b
Molecular Mass 370.439 g·mol−1
Heat of Formation -869.3 ± 16.7 kJ·mol−1
Dipole Moment 6.08 ± 1.08 D
Volume 444.31 Å 3
Surface Area 365.53 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -0.62 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-(12r)-hydroxy-6,6-dimethyl-trans-(10r,11s)-dimethyl-4-propyl-6,10,11,12-tetrahydrodipyrano[2,3-f
  • (+)-calanolide b (synthetic)
  • 2h,6h,10h-benzo(1,2-b:3,4-b':5,6-b'')tripyran-2-one, 11,12-dihydro-12-hydroxy-6,6,10,11-tetramethyl-4-propyl-, (10r,11s,12r)-
  • 2h,6h,10h-benzo(1,2-b:3,4-b':5,6-b'')tripyran-2-one, 11,12-dihydro-12-hydroxy-6,6,10,11-tetramethyl-4-propyl-, (10r-(10alpha,11beta,12beta))-
  • 2h,6h,10h-benzo[1,2-b:3,4-b':5,6-b'']tripyran-2-one,11,12-dihydro-12-hydroxy-6,6,10,11-tetramethyl-4-propyl-,(10r,11s,12r)-
  • calanolide b
CAS Number(s)
  • 142632-33-5
InChIKey NIDRYBLTWYFCFV-SEDUGSJDSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O