Geometry & MOs
Info
ID: |
127798 |
PubChem CID: |
51016224 |
Reduced: |
OC9H12 (1) |
Stoich.: |
AB9C12 (1) |
Weight, g/mol: |
706.359813 |
ΔHf, kcal/mol: |
-39.49 |
Dipole, Da: |
3.43 |
IP(EA), eV: |
-9.45(0.69) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
[(3R,4R,5R,6R)-5-hydroxy-4-methoxy-6-[2-methyl-3-methylidene-6-[(3S,4R,8S,10S,13R,17R)-3,4,6,8,15-pentahydroxy-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]heptoxy]oxan-3-yl] hydrogen sulfate