Geometry & MOs
Info
ID: |
319707 |
PubChem CID: |
126657053 |
Reduced: |
OS2C27H54 (1) |
Stoich.: |
AB2C27D54 (1) |
Weight, g/mol: |
1146.582204 |
ΔHf, kcal/mol: |
-139.1 |
Dipole, Da: |
3.92 |
IP(EA), eV: |
-8.64(0.35) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,6bS,8R,8aR,9R,10R,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-(2-methylpentanoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid