Geometry & MOs

Info

ID:

338253

PubChem CID:

127258945

Reduced:

O8C27H30 (1)

Stoich.:

A8B27C30 (1)

Weight, g/mol:

550.205027

ΔHf, kcal/mol:

-251.84

Dipole, Da:

4.38

IP(EA), eV:

 -8.72(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-10,15,16-trihydroxy-3-[(E)-4-hydroxy-3,4-dimethylpent-2-enoyl]oxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylic acid

Drug info:

PubChemData

Smile

C/C=C(/C)\C(=O)OC1C(C(CC2=CC(=C(C(=O)C23COC4=C3C1=CC5=C4OCO5)OC)OC)C)C

DOS

IR

Vibrations