(1S,10R,12S,21R,22S,23S,24R)-4,8,12,22,24-Pentahydroxy-10-Methoxy-1,12-Dimethyl-23-(Methylamino)-20,25-Dioxahexacyclo[19.3.1.0~2,19~.0~5,18~.0~7,16~.0~9,14~]Pentacosa-2,4,7(16),8,14,18-Hexaene-6,17-Dione

Molecule SVG Image

Properties Simple | Detailed

Formula C27H29NO10
IUPAC Name (1s,10r,12s,21r,22s,23s,24r)-4,8,12,22,24-pentahydroxy-10-methoxy-1,12-dimethyl-23-(methylamino)-20,25-dioxahexacyclo[19.3.1.0 2,19 .0 5,18 .0 7,16 .0 9,14 ]pentacosa-2,4,7(16),8,14,18-hexaene-6,17-dione
Molecular Mass 527.520 g·mol−1
Heat of Formation -1331.8 ± 16.7 kJ·mol−1
Dipole Moment 10.35 ± 1.08 D
Volume 569.81 Å 3
Surface Area 462.97 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy -1.61 ± eV
Point Group Symmetry C1
Synonyms
  • 2,6-epoxy-2h-naphthaceno(1,2-b)oxocin-9,16-dione, 3,4,5,6,11,12,13,14-octahydro-3,5,8,10,13-pentahydroxy-11-methoxy-6,13-dimethyl-4-(methylamino)-, (2r-(2alpha,3beta,4alpha,5beta,6alpha,11alpha,13alpha))-
  • n-demethylmenogaril
CAS Number(s)
  • 81445-91-2
InChIKey PPUCUNKHOFYRLN-FJSFXKJISA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N