Geometry & MOs

Info

ID:

18100

PubChem CID:

538186

Reduced:

O11C26H34 (1)

Stoich.:

A11B26C34 (1)

Weight, g/mol:

522.210112

ΔHf, kcal/mol:

-441.88

Dipole, Da:

3.64

IP(EA), eV:

 -9.77(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(13,14-diacetyloxy-5,6,11-trihydroxy-8,12,15,15-tetramethyl-7-oxo-3-oxapentacyclo[9.5.0.02,4.06,10.014,16]hexadec-8-en-4-yl)methyl acetate

Drug info:

PubChemData

Smile

CC1C(C2(C(C2(C)C)C3C1(C4C=C(C(=O)C4(C(C5(C3O5)COC(=O)C)O)O)C)O)OC(=O)C)OC(=O)C

DOS

IR

Vibrations