Geometry & MOs

Info

ID:

218912

PubChem CID:

85090150

Reduced:

O11C26H38 (1)

Stoich.:

A11B26C38 (1)

Weight, g/mol:

526.241412

ΔHf, kcal/mol:

-498.97

Dipole, Da:

5.85

IP(EA), eV:

 -9.93(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2,16-diacetyloxy-5,9,11-trihydroxy-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.03,7.013,16]hexadec-6-en-8-yl] acetate

Drug info:

PubChemData

Smile

CC12CCC3C(C(C(C(C3(C1(CC(=O)OC2C4=COC=C4)O)O)O)O)(C)CC(C)(C)O)C(C(=O)OC)O

DOS

IR

Vibrations