Geometry & MOs

Info

ID:

901

PubChem CID:

3506

Reduced:

O7C19H28 (2)

Stoich.:

A7B19C28 (2)

Weight, g/mol:

736.367006

ΔHf, kcal/mol:

-639.89

Dipole, Da:

4.04

IP(EA), eV:

 -9.66(0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-acetyloxy-12,16-dihydroxy-14-(hydroxymethyl)-4,10,13-trimethyl-17-(6-methyl-1,4-dioxohept-5-en-2-yl)-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-4-carboxylate

Drug info:

PubChemData

Smile

CC(=CC(=O)CC(C=O)C1C(CC2(C1(C(CC3C2=CCC4C3(CCC(C4(C)C(=O)OC5C(C(C(C(O5)CO)O)O)O)OC(=O)C)C)O)C)CO)O)C

DOS

IR

Vibrations