Geometry & MOs
Info
ID: |
392433 |
PubChem CID: |
135016193 |
Reduced: |
SO5H12C13 (1) |
Stoich.: |
AB5C12D13 (1) |
Weight, g/mol: |
872.455821 |
ΔHf, kcal/mol: |
-148.57 |
Dipole, Da: |
2.83 |
IP(EA), eV: |
-9.51(-1.5) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
[2-[3-acetyloxy-2-[[(3S,10R,13S,16S,17S)-3,17-dihydroxy-10,13-dimethyl-17-[(2S)-6-methyl-3-oxoheptan-2-yl]-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-16-yl]oxy]-5-hydroxyoxan-4-yl]oxy-4,5-dihydroxyoxan-3-yl] 4-methoxybenzoate