Geometry & MOs
Info
ID: |
125457 |
PubChem CID: |
50924988 |
Reduced: |
NC21H21 (1) |
Stoich.: |
AB21C21 (1) |
Weight, g/mol: |
1028.555595 |
ΔHf, kcal/mol: |
93.46 |
Dipole, Da: |
2.78 |
IP(EA), eV: |
-8.1(0.02) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4R,5R)-5-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate