Geometry & MOs

Info

ID:

15963

PubChem CID:

456553

Reduced:

O17C47H64 (1)

Stoich.:

A17B47C64 (1)

Weight, g/mol:

900.414351

ΔHf, kcal/mol:

-683.15

Dipole, Da:

7.62

IP(EA), eV:

 -9.16(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3',4,6-trihydroxy-6'-(hydroxymethyl)-5'-[3,4,5-trihydroxy-6-(8-hydroxydeca-2,4,6-trienoyloxymethyl)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

CCC(C)CCC=CC=C(C)C(CC=CC=CC(=O)OC1C(C(OC2(C1O)C3=C(CO2)C=C(C=C3O)O)CO)OC4C(C(C(C(O4)COC(=O)C=CC=CC=CC(CC)O)O)O)O)O

DOS

IR

Vibrations