Geometry & MOs

Info

ID:

127105

PubChem CID:

50990771

Reduced:

O10C25H34 (1)

Stoich.:

A10B25C34 (1)

Weight, g/mol:

436.173332

ΔHf, kcal/mol:

-433.85

Dipole, Da:

5.52

IP(EA), eV:

 -9.9(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,5R,6R,8R,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] acetate

Drug info:

PubChemData

Smile

CC[C@@](C)(C(=O)O[C@@H]1C2[C@H]([C@H]([C@]3(C4[C@@]2(CO3)[C@@H](C[C@@H]5[C@@]4([C@@H](C(=O)C=C5C)O)C)OC1=O)O)O)C)O

DOS

IR

Vibrations