(8R,9S,13S,14S,17R)-5',5',13-Trimethyl-6'-Oxo-3',4',5',6,6',7,8,9,11,12,13,14,15,16-Tetradecahydrospiro[Cyclopenta[A]Phenanthrene-17,2'-Pyran]-3-Carboxamide

Molecule SVG Image

Properties Simple | Detailed

Formula C25H33NO3
IUPAC Name (8r,9s,13s,14s,17r)-5',5',13-trimethyl-6'-oxo-spiro[7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-17,2'-tetrahydropyran]-3-carboxamide
Molecular Mass 395.534 g·mol−1
Heat of Formation -644.2 ± 16.7 kJ·mol−1
Dipole Moment 3.49 ± 1.08 D
Volume 492.61 Å 3
Surface Area 394.08 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,13s,14s,17r)-5',5',13-trimethyl-6'-oxo-3-spiro[7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-17,2'-tetrahydropyran]carboxamide
  • (8r,9s,13s,14s,17r)-5',5',13-trimethyl-6'-oxo-spiro[7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-17,2'-oxane]-3-carboxamide
  • (8r,9s,13s,14s,17r)-5',5',13-trimethyl-6'-oxo-spiro[7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-17,2'-tetrahydropyran]-3-carboxamide
  • (8r,9s,13s,14s,17r)-5',5',13-trimethyl-6'-oxospiro[7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-17,2'-oxane]-3-carboxamide
  • (8r,9s,13s,14s,17r)-6'-keto-5',5',13-trimethyl-spiro[7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-17,2'-tetrahydropyran]-3-carboxamide
InChIKey YVAJWBACBRSVPR-NDUHRLLKSA-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