Geometry & MOs

Info

ID:

81289

PubChem CID:

49854557

Reduced:

O11C27H38 (1)

Stoich.:

A11B27C38 (1)

Weight, g/mol:

506.215197

ΔHf, kcal/mol:

-510.47

Dipole, Da:

7.89

IP(EA), eV:

 -10.52(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,4aR,5S,6R,7S,11bS)-5,6-diacetyloxy-4a,7-dihydroxy-4,4,7,11b-tetramethyl-9-oxo-2,3,5,6,6a,11a-hexahydro-1H-naphtho[2,1-f][1]benzofuran-1-yl] acetate

Drug info:

PubChemData

Smile

CC(=O)O[C@H]1CCC([C@]2([C@]1(C3C[C@@]4(C(=CC(=O)O4)[C@@](C3[C@H]([C@@H]2OC(=O)C)OC(=O)C)(C)O)OC)C)O)(C)C

DOS

IR

Vibrations