Geometry & MOs
Info
ID: |
231995 |
PubChem CID: |
87575085 |
Reduced: |
F3O3C4H5 (1) |
Stoich.: |
A3B3C4D5 (1) |
Weight, g/mol: |
858.604341 |
ΔHf, kcal/mol: |
-282.09 |
Dipole, Da: |
1.28 |
IP(EA), eV: |
-12.06(-0.49) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(4R)-4-[(3R,5R,10S,12S,13R,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid;[(10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate