Estra-4,9-Dien-3-One, 11-(4-Aminophenyl)-17-Hydroxy-17-(1-Propynyl)-, (11β,17β)-

Molecule SVG Image

Properties Simple | Detailed

Formula C27H31NO2
IUPAC Name (8s,11r,13s,14s,17s)-11-(4-aminophenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 401.541 g·mol−1
Heat of Formation -83.6 ± 16.7 kJ·mol−1
Dipole Moment 6.06 ± 1.08 D
Volume 503.14 Å 3
Surface Area 403.79 Å 2
HOMO Energy -8.36 ± 0.55 eV
LUMO Energy -0.30 ± eV
Point Group Symmetry C1
Synonyms
  • (
  • )
  • ,
  • -
  • 1
  • 2
  • 3
  • 4
  • 5
  • 6
  • 7
  • 8
  • [
  • ]
  • a
  • c
  • d
  • e
  • h
  • i
  • l
  • m
  • n
  • o
  • p
  • r
  • s
  • t
  • x
  • y
InChIKey MIPBCIAEOBOEKD-YEEPMTPTSA-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