Geometry & MOs
Info
ID: |
408922 |
PubChem CID: |
135081694 |
Reduced: |
NOC13H17 (1) |
Stoich.: |
ABC13D17 (1) |
Weight, g/mol: |
1222.605438 |
ΔHf, kcal/mol: |
-9.72 |
Dipole, Da: |
2.22 |
IP(EA), eV: |
-7.94(0.52) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
[(1S,3S,5R,9R,10R,11R,13R,14S,15R,17S,18R,23Z,25R,27S,29S,31S,33S,36S,37S,38R,41S,43S,49S)-37-acetyloxy-11-[(4S,5E)-7-chloro-4-hydroxy-2-methylideneocta-5,7-dienyl]-10,14,15,17,27,43-hexahydroxy-31-methoxy-18,36,38,43,49-pentamethyl-39-methylidene-7,35-dioxo-8,12,45,46,47,48,50-heptaoxaheptacyclo[39.3.1.11,5.19,13.115,19.125,29.129,33]pentacont-23-en-3-yl] acetate