Geometry & MOs
Info
ID: |
146877 |
PubChem CID: |
53764936 |
Reduced: |
NOC7H12 (2) |
Stoich.: |
ABC7D12 (2) |
Weight, g/mol: |
1081.477228 |
ΔHf, kcal/mol: |
-102.9 |
Dipole, Da: |
6.57 |
IP(EA), eV: |
-9.14(0.72) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
2-[[(4R)-4-[(3S,7S,8R,9S,10S,12S,13R,14S,17R)-3-[(4R)-4-[(3R,7R,10S,13R,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]oxy-7,12-dihydroxy-10,13-dimethyl-3,7-disulfooxy-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid