Geometry & MOs
Info
ID: |
125254 |
PubChem CID: |
50917279 |
Reduced: |
SN2O5C18H20 (1) |
Stoich.: |
AB2C5D18E20 (1) |
Weight, g/mol: |
954.48243 |
ΔHf, kcal/mol: |
-89.05 |
Dipole, Da: |
8.25 |
IP(EA), eV: |
-8.85(-1.38) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
3-[(3R,4S,5R,6S)-4,5-diacetyloxy-6-[[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-14-hydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]oxan-3-yl]oxy-3-oxopropanoic acid