(3As,3Bs,5Ar,7R,9As,9Bs,11As)-2-Amino-7-Hydroxy-9A,11A-Dimethyl-3,3A,3B,4,5,5A,6,7,8,9,9A,9B,11,11A-Tetradecahydro-10H-Naphtho[2,1-E]Indol-10-One

Molecule SVG Image

Properties Simple | Detailed

Formula C18H28N2O2
IUPAC Name (3as,3bs,5ar,7r,9as,9bs,11as)-2-amino-7-hydroxy-9a,11a-dimethyl-3,3a,3b,4,5,5a,6,7,8,9,9b,11-dodecahydronaphtho[2,1-e]indol-10-one
Molecular Mass 304.427 g·mol−1
Heat of Formation -426.0 ± 16.7 kJ·mol−1
Dipole Moment 6.18 ± 1.08 D
Volume 382.67 Å 3
Surface Area 304.67 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy 3.93 ± eV
Point Group Symmetry C1
Synonyms
  • (3as,3bs,5ar,7r,9as,9bs,11as)-2-amino-7-hydroxy-9a,11a-dimethyl-3,3a,3b,4,5,5a,6,7,8,9,9b,11-dodecahydronaphtho[2,1-e]indol-10-one
  • 10h-naphth(2,1-e)indol-10-one, 2-amino-3,3a,3b,4,5,5a,6,7,8,9,9a,9b,11,11a-tetradecahydro-7-hydroxy-9a,11a-dimethyl-, (3as,3bs,5ar,7r,9as,9bs,11as)-
  • 17-azaandrost-16-en-11-one, 16-amino-3-hydroxy-, (3alpha,5beta)-
  • 3-hydroxy-16-imino-17-azaandrostan-11-one
  • 3alpha-hydroxy-16-imino-17-aza-5beta-androstan-11-one
  • r 5135
  • ru 5135
  • ru-5135
CAS Number(s)
  • 78774-26-2
InChIKey LLAKESJIQFAQJA-NJYPJRCCSA-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