3,4-Dihydroxyestra-1,3,5(10),6,8-Pentaen-17-One

Molecule SVG Image

Properties Simple | Detailed

Formula C18H18O3
IUPAC Name (13s,14s)-3,4-dihydroxy-13-methyl-12,14,15,16-tetrahydro-11h-cyclopenta[a]phenanthren-17-one
Molecular Mass 282.334 g·mol−1
Heat of Formation -422.0 ± 16.7 kJ·mol−1
Dipole Moment 2.40 ± 1.08 D
Volume 333.15 Å 3
Surface Area 285.72 Å 2
HOMO Energy -8.35 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • (13s,14s)-3,4-dihydroxy-13-methyl-12,14,15,16-tetrahydro-11h-cyclopenta[a]phenanthren-17-one
  • 4-hydroxyequilenin
  • estra-1,3,5,7,9-pentaen-17-one, 3,4-dihydroxy-
CAS Number(s)
  • 81608-60-8
InChIKey MRSWRSDZIPNFCN-KSSFIOAISA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O