Geometry & MOs
Info
ID: |
402527 |
PubChem CID: |
135056292 |
Reduced: |
ClNOC14H16 (1) |
Stoich.: |
ABCD14E16 (1) |
Weight, g/mol: |
780.429607 |
ΔHf, kcal/mol: |
-41.37 |
Dipole, Da: |
3.78 |
IP(EA), eV: |
-9.43(-0.75) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
3-[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14,16-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one