Geometry & MOs

Info

ID:

7133

PubChem CID:

71332

Reduced:

O7C25H37 (2)

Stoich.:

A7B25C37 (2)

Weight, g/mol:

898.507857

ΔHf, kcal/mol:

-620.91

Dipole, Da:

3.49

IP(EA), eV:

 -9.31(0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1'R,2R,3S,4'S,6S,8'R,13'S,20'R,21'R,24'S)-2-cyclohexyl-21',24'-dihydroxy-12'-[(2R,4S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one

Drug info:

PubChemData

Smile

C[C@H]1C=C[C@]2(C[C@@H]3C[C@H](O2)CC=C(C([C@H](C=CC=C4CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H](C([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)C)O[C@@H]1C8CCCCC8

DOS

IR

Vibrations