Geometry & MOs

Info

ID:

7571

PubChem CID:

73432

Reduced:

O11C26H32 (1)

Stoich.:

A11B26C32 (1)

Weight, g/mol:

520.194462

ΔHf, kcal/mol:

-443.45

Dipole, Da:

1.81

IP(EA), eV:

 -9.4(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-10,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=O)C[C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@H]([C@@H]([C@]([C@@H]4[C@H](C(=O)O3)OC(=O)C=C(C)C)(OC5)C(=O)OC)O)O)C)O

DOS

IR

Vibrations