Geometry & MOs

Info

ID:

7405

PubChem CID:

72465

Reduced:

O17C47H66 (1)

Stoich.:

A17B47C66 (1)

Weight, g/mol:

902.430001

ΔHf, kcal/mol:

-714.59

Dipole, Da:

3.24

IP(EA), eV:

 -9.25(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,3'R,4'R,5'S,6'R)-3',4,6-trihydroxy-6'-(hydroxymethyl)-5'-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(7-hydroxydeca-2,4-dienoyloxymethyl)oxan-2-yl]oxyspiro[1H-2-benzofuran-3,2'-oxane]-4'-yl] 7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate

Drug info:

PubChemData

Smile

CCCC(CC=CC=CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](O[C@@]3([C@@H]([C@H]2OC(=O)C=CC=CCC(C(=CC=CCCC(C)CC)C)O)O)C4=C(CO3)C=C(C=C4O)O)CO)O)O)O)O

DOS

IR

Vibrations