Geometry & MOs

Info

ID:

53768

PubChem CID:

14717894

Reduced:

O10C24H37 (2)

Stoich.:

A10B24C37 (2)

Weight, g/mol:

970.477345

ΔHf, kcal/mol:

-936.56

Dipole, Da:

7.79

IP(EA), eV:

 -9.93(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,5R,8R,9S,10R,13R,14R,17R)-14-hydroxy-3-[(2R,4S,5S,6R)-4-hydroxy-5-[(2R,4S,5S,6R)-4-hydroxy-5-[(2R,4S,5S,6R)-4-hydroxy-6-methyl-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] formate

Drug info:

PubChemData

Smile

CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)OC=O)O)C)C)O)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)OC9C(C(C(C(O9)CO)O)O)O)O)O

DOS

IR

Vibrations