Geometry & MOs
Info
ID: |
45254 |
PubChem CID: |
10510148 |
Reduced: |
NH17C24F34 (1) |
Stoich.: |
AB17C24D34 (1) |
Weight, g/mol: |
970.51373 |
ΔHf, kcal/mol: |
-1717.05 |
Dipole, Da: |
5.24 |
IP(EA), eV: |
-9.23(-0.56) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (3R,4aR,6aR,6aS,6bR,8aR,12aS,13R,14bR)-3-hydroxy-13-methoxy-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylate