16,28-Secosolanida-5,22(28)-Dien-3-Ol, (3β)-

Molecule SVG Image

Properties Simple | Detailed

Formula C27H43NO
IUPAC Name (3s,8s,9s,10r,13s,14s,17r)-10,13-dimethyl-17-[(1s)-1-[(3s)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
Molecular Mass 397.636 g·mol−1
Heat of Formation -402.0 ± 16.7 kJ·mol−1
Dipole Moment 4.40 ± 1.08 D
Volume 538.21 Å 3
Surface Area 419.31 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy 1.27 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8s,9s,10r,13s,14s,17r)-10,13-dimethyl-17-[(1s)-1-[(5s)-5-methyl-3,4,5,6-tetrahydropyridin-2-yl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
CAS Number(s)
  • 14320-81-1
InChIKey VRBNGKPRTHBEIQ-LURFOZDGSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N