Geometry & MOs
Info
ID: |
85004 |
PubChem CID: |
49871283 |
Reduced: |
OC14H20 (1) |
Stoich.: |
AB14C20 (1) |
Weight, g/mol: |
682.444469 |
ΔHf, kcal/mol: |
-50.41 |
Dipole, Da: |
5.74 |
IP(EA), eV: |
-9.4(0.04) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
methyl (1R,2S,4R,8S,11S,15R,18S,21S,22S,23E,27S)-2,4-dihydroxy-2,6,11,15,24,28-hexamethyl-9,16,19-trioxo-18-propan-2-yl-31-oxatetracyclo[25.3.1.05,22.08,21]hentriaconta-5,23,28-triene-21-carboxylate