Geometry & MOs
Info
ID: |
299337 |
PubChem CID: |
117682685 |
Reduced: |
ClC20H29 (1) |
Stoich.: |
AB20C29 (1) |
Weight, g/mol: |
805.367341 |
ΔHf, kcal/mol: |
-5.3 |
Dipole, Da: |
2.17 |
IP(EA), eV: |
-8.67(-0.06) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
[(1S,2S,3R,4S,7R,9S,10S,12R,15R)-4-acetyloxy-1,9,12-trihydroxy-15-[(3R,4S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-4-phenylbutyl]-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate